Prediction of superconductivity and topological aspects in single-layer β-Bi2Pd

Liu, Peng-Fei; Li, Jingyu; Tu, Xin-Hai; Yin, Huabing; Sa, Baisheng; Zhang, Junrong; Singh, David J.; Wang, Bao-Tian

doi:10.1103/physrevb.102.155406

Title: Prediction of superconductivity and topological aspects in single-layer β-Bi₂Pd

Abstract

Topological superconductors, characterized by topologically nontrivial states residing in a superconducting gap, are a recently discovered class of materials having Majorana fermions. The interplay of superconductivity and topological states gives rise to opportunities for achieving such topological superconductors in condensed matter systems. Up to now, several single-material topological superconductors in this form have been theoretically predicted and experimentally confirmed. Here, using the first-principles calculations, we study the superconducting single-layer β-Bi₂Pd. In this work, the electronic density of states near Fermi level of this monolayer are dominated by the Bi-p and Pd-d orbitals, forming a two-band Fermi surface with multiclass sheets. The presence of soft phonon bands, in cooperation with the electron susceptibility, accounts for electron-phonon superconductivity of single-layer β-Bi₂Pd. With the centrosymmetric structure, single-layer β-Bi₂Pd possesses a continuous gap over the whole Brillouin zone and topological Dirac-like states at its one-dimensional boundary. The present findings would lead to the expectation of one-dimensional topological superconductivity and Majorana bound states in a monolayer candidate of β-Bi₂Pd with intrinsic full-gap superconductivity.

Authors:

^[1];

^[2]; Tu, Xin-Hai ^[1];

^[2];

^[3]; Zhang, Junrong ^[1]; Singh, David J. ^[4];

^[5]

Chinese Academy of Sciences (CAS), Dongguan (China)
Henan University, Kaifeng (China)
Fuzhou University (China)
Univ. of Missouri, Columbia, MO (United States)
Chinese Academy of Sciences (CAS), Dongguan (China); Shanxi Univ., Taiyuan (China)

Publication Date:: Wed Oct 07 00:00:00 EDT 2020

Research Org.:: Univ. of Missouri, Columbia, MO (United States)

Sponsoring Org.:: Guangdong Basic and Applied Basic Research Foundation; Natural Science Foundation of Guangdong Province of China; National Natural Science Foundation of China (NSFC); USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1852835

Grant/Contract Number:: SC0019114; 2018A0303100013; 11675195; 12074381

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review. B

Additional Journal Information:: Journal Volume: 102; Journal Issue: 15; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; Materials Science; Physics

Citation Formats


                    Liu, Peng-Fei, Li, Jingyu, Tu, Xin-Hai, Yin, Huabing, Sa, Baisheng, Zhang, Junrong, Singh, David J., and Wang, Bao-Tian. Prediction of superconductivity and topological aspects in single-layer β-Bi2Pd.  United States: N. p., 2020. 
Web.  doi:10.1103/physrevb.102.155406.

Copy to clipboard


                    Liu, Peng-Fei, Li, Jingyu, Tu, Xin-Hai, Yin, Huabing, Sa, Baisheng, Zhang, Junrong, Singh, David J., & Wang, Bao-Tian. Prediction of superconductivity and topological aspects in single-layer β-Bi2Pd.  United States.  https://doi.org/10.1103/physrevb.102.155406

Copy to clipboard


                    Liu, Peng-Fei, Li, Jingyu, Tu, Xin-Hai, Yin, Huabing, Sa, Baisheng, Zhang, Junrong, Singh, David J., and Wang, Bao-Tian. Wed .  
"Prediction of superconductivity and topological aspects in single-layer β-Bi2Pd".  United States.  https://doi.org/10.1103/physrevb.102.155406.  https://www.osti.gov/servlets/purl/1852835.

Copy to clipboard


                    
@article{osti_1852835,

  title        = {Prediction of superconductivity and topological aspects in single-layer β-Bi2Pd},

  author       = {Liu, Peng-Fei and Li, Jingyu and Tu, Xin-Hai and Yin, Huabing and Sa, Baisheng and Zhang, Junrong and Singh, David J. and Wang, Bao-Tian},

  abstractNote = {Topological superconductors, characterized by topologically nontrivial states residing in a superconducting gap, are a recently discovered class of materials having Majorana fermions. The interplay of superconductivity and topological states gives rise to opportunities for achieving such topological superconductors in condensed matter systems. Up to now, several single-material topological superconductors in this form have been theoretically predicted and experimentally confirmed. Here, using the first-principles calculations, we study the superconducting single-layer β-Bi2Pd. In this work, the electronic density of states near Fermi level of this monolayer are dominated by the Bi-p and Pd-d orbitals, forming a two-band Fermi surface with multiclass sheets. The presence of soft phonon bands, in cooperation with the electron susceptibility, accounts for electron-phonon superconductivity of single-layer β-Bi2Pd. With the centrosymmetric structure, single-layer β-Bi2Pd possesses a continuous gap over the whole Brillouin zone and topological Dirac-like states at its one-dimensional boundary. The present findings would lead to the expectation of one-dimensional topological superconductivity and Majorana bound states in a monolayer candidate of β-Bi2Pd with intrinsic full-gap superconductivity.},

  doi          = {10.1103/physrevb.102.155406},

  journal      = {Physical Review. B},

  number       = 15,

  volume       = 102,

  place        = {United States},

  year         = {Wed Oct 07 00:00:00 EDT 2020},

  month        = {Wed Oct 07 00:00:00 EDT 2020}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1103/physrevb.102.155406

Other availability

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Superconductivity in topologically nontrivial material Au2Pb
journal, July 2016

Xing, Ying; Wang, He; Li, Chao-Kai
npj Quantum Materials, Vol. 1, Issue 1
DOI: 10.1038/npjquantmats.2016.5

Non-Abelian statistics of axion strings
journal, November 2003

Sato, Masatoshi
Physics Letters B, Vol. 575, Issue 1-2
DOI: 10.1016/j.physletb.2003.09.047

Dirac metal to topological metal transition at a structural phase change in ${Au}_{2} Pb$ and prediction of $Z_{2}$ topology for the superconductor
journal, June 2015

Schoop, Leslie M.; Xie, Lilia S.; Chen, Ru
Physical Review B, Vol. 91, Issue 21
DOI: 10.1103/PhysRevB.91.214517

Charge-Density Wave and Superconducting Dome in ${TiSe}_{2}$ from Electron-Phonon Interaction
journal, May 2011

Calandra, Matteo; Mauri, Francesco
Physical Review Letters, Vol. 106, Issue 19
DOI: 10.1103/PhysRevLett.106.196406

High-temperature superconductivity in monolayer Bi2Sr2CaCu2O8+δ
journal, October 2019

Yu, Yijun; Ma, Liguo; Cai, Peng
Nature, Vol. 575, Issue 7781
DOI: 10.1038/s41586-019-1718-x

Unconventional superconductivity in magic-angle graphene superlattices
journal, March 2018

Cao, Yuan; Fatemi, Valla; Fang, Shiang
Nature, Vol. 556, Issue 7699
DOI: 10.1038/nature26160

Hybrid functionals based on a screened Coulomb potential
journal, May 2003

Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
The Journal of Chemical Physics, Vol. 118, Issue 18
DOI: 10.1063/1.1564060

An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
journal, August 2014

Mostofi, Arash A.; Yates, Jonathan R.; Pizzi, Giovanni
Computer Physics Communications, Vol. 185, Issue 8
DOI: 10.1016/j.cpc.2014.05.003

Doping-controlled phase transitions in single-layer ${MoS}_{2}$
journal, October 2017

Zhuang, Houlong L.; Johannes, Michelle D.; Singh, Arunima K.
Physical Review B, Vol. 96, Issue 16
DOI: 10.1103/PhysRevB.96.165305

Growth of layered superconductor β-PdBi2 films using molecular beam epitaxy
journal, April 2017

Denisov, N. V.; Matetskiy, A. V.; Tupkalo, A. V.
Applied Surface Science, Vol. 401
DOI: 10.1016/j.apsusc.2016.12.239

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
DOI: 10.1088/0953-8984/21/39/395502

Multigap anisotropic superconductivity in borophenes
journal, October 2018

Zhao, Yinchang; Zeng, Shuming; Lian, Chao
Physical Review B, Vol. 98, Issue 13
DOI: 10.1103/PhysRevB.98.134514

Superconductivity in one-atomic-layer metal films grown on Si(111)
journal, January 2010

Zhang, Tong; Cheng, Peng; Li, Wen-Juan
Nature Physics, Vol. 6, Issue 2
DOI: 10.1038/nphys1499

Nonhelical spin texture in the normal states of the centrosymmetric superconductor $β − {PdBi}_{2}$
journal, October 2019

Xu, T.; Wang, B. T.; Wang, M.
Physical Review B, Vol. 100, Issue 16
DOI: 10.1103/PhysRevB.100.161109

Superconductivity above 100 K in single-layer FeSe films on doped SrTiO3
journal, November 2014

Ge, Jian-Feng; Liu, Zhi-Long; Liu, Canhua
Nature Materials, Vol. 14, Issue 3
DOI: 10.1038/nmat4153

Superconducting topological surface states in the noncentrosymmetric bulk superconductor PbTaSe ₂
journal, November 2016

Guan, Syu-You; Chen, Peng-Jen; Chu, Ming-Wen
Science Advances, Vol. 2, Issue 11
DOI: 10.1126/sciadv.1600894

Dirac surface states and nature of superconductivity in Noncentrosymmetric BiPd
journal, March 2015

Sun, Zhixiang; Enayat, Mostafa; Maldonado, Ana
Nature Communications, Vol. 6, Issue 1
DOI: 10.1038/ncomms7633

Topological Dirac surface states and superconducting pairing correlations in ${PbTaSe}_{2}$
journal, June 2016

Chang, Tay-Rong; Chen, Peng-Jen; Bian, Guang
Physical Review B, Vol. 93, Issue 24
DOI: 10.1103/PhysRevB.93.245130

Experimental signature of topological superconductivity and Majorana zero modes on β-Bi 2 Pd thin films
journal, June 2017

Lv, Yan-Feng; Wang, Wen-Lin; Zhang, Yi-Min
Science Bulletin, Vol. 62, Issue 12
DOI: 10.1016/j.scib.2017.05.008

Signatures of the topological s +− superconducting order parameter in the type-II Weyl semimetal T d-MoTe2
journal, October 2017

Guguchia, Z.; von Rohr, F.; Shermadini, Z.
Nature Communications, Vol. 8, Issue 1
DOI: 10.1038/s41467-017-01066-6

Topological superconducting phase in high-Tc superconductor MgB2 with Dirac–nodal-line fermions
journal, May 2019

Jin, Kyung-Hwan; Huang, Huaqing; Mei, Jia-Wei
npj Computational Materials, Vol. 5, Issue 1
DOI: 10.1038/s41524-019-0191-2

Experimental evidence of anomalously large superconducting gap on topological surface state of β-Bi2Pd film
journal, September 2019

Guan, Jian-Yu; Kong, Lingyuan; Zhou, Li-Qin
Science Bulletin, Vol. 64, Issue 17
DOI: 10.1016/j.scib.2019.07.019

Chiral Majorana fermion modes in a quantum anomalous Hall insulator–superconductor structure
journal, July 2017

He, Qing Lin; Pan, Lei; Stern, Alexander L.
Science, Vol. 357, Issue 6348
DOI: 10.1126/science.aag2792

Topologically protected surface states in a centrosymmetric superconductor β-PdBi2
journal, October 2015

Sakano, M.; Okawa, K.; Kanou, M.
Nature Communications, Vol. 6, Issue 1
DOI: 10.1038/ncomms9595

Emergent surface superconductivity in the topological insulator Sb2Te3
journal, September 2015

Zhao, Lukas; Deng, Haiming; Korzhovska, Inna
Nature Communications, Vol. 6, Issue 1
DOI: 10.1038/ncomms9279

Evidence of anisotropic Majorana bound states in 2M-WS2
journal, July 2019

Yuan, Yonghao; Pan, Jie; Wang, Xintong
Nature Physics, Vol. 15, Issue 10
DOI: 10.1038/s41567-019-0576-7

β-PdBi2 monolayer: two-dimensional topological metal with superior catalytic activity for carbon dioxide electroreduction to formic acid
journal, December 2020

Zhu, X.; Wang, Y.; Jing, Y.
Materials Today Advances, Vol. 8
DOI: 10.1016/j.mtadv.2020.100091

Experimental Detection of a Majorana Mode in the core of a Magnetic Vortex inside a Topological Insulator-Superconductor ${Bi}_{2} {Te}_{3} / {NbSe}_{2}$ Heterostructure
journal, January 2015

Xu, Jin-Peng; Wang, Mei-Xiao; Liu, Zhi Long
Physical Review Letters, Vol. 114, Issue 1
DOI: 10.1103/PhysRevLett.114.017001

Phase diagram and electronic indication of high-temperature superconductivity at 65 K in single-layer FeSe films
journal, May 2013

He, Shaolong; He, Junfeng; Zhang, Wenhao
Nature Materials, Vol. 12, Issue 7
DOI: 10.1038/nmat3648

Superconductivity in ${Cu}_{x} {Bi}_{2} {Se}_{3}$ and its Implications for Pairing in the Undoped Topological Insulator
journal, February 2010

Hor, Y. S.; Williams, A. J.; Checkelsky, J. G.
Physical Review Letters, Vol. 104, Issue 5
DOI: 10.1103/PhysRevLett.104.057001

High-precision sampling for Brillouin-zone integration in metals
journal, August 1989

Methfessel, M.; Paxton, A. T.
Physical Review B, Vol. 40, Issue 6
DOI: 10.1103/PhysRevB.40.3616

Pressure effect on the superconducting and the normal state of $β - B i_{2} Pd$
journal, April 2018

Pristáš, G.; Orendáč, Mat.; Gabáni, S.
Physical Review B, Vol. 97, Issue 13
DOI: 10.1103/PhysRevB.97.134505

Quantum Anomalous Hall Effect in Graphene Proximity Coupled to an Antiferromagnetic Insulator
journal, March 2014

Qiao, Zhenhua; Ren, Wei; Chen, Hua
Physical Review Letters, Vol. 112, Issue 11
DOI: 10.1103/PhysRevLett.112.116404

Emergence of superconductivity in a Dirac nodal-line Cu ₂ Si monolayer: ab initio calculations
journal, January 2019

Yan, Luo; Liu, Peng-Fei; Bo, Tao
Journal of Materials Chemistry C, Vol. 7, Issue 35
DOI: 10.1039/C9TC03740C

Spin-rotation symmetry breaking in the superconducting state of CuxBi2Se3
journal, May 2016

Matano, K.; Kriener, M.; Segawa, K.
Nature Physics, Vol. 12, Issue 9
DOI: 10.1038/nphys3781

Superconductivity of monolayer Mo ₂ C: The key role of functional groups
journal, January 2017

Zhang, Jun-Jie; Dong, Shuai
The Journal of Chemical Physics, Vol. 146, Issue 3
DOI: 10.1063/1.4974085

Transition temperature of strong-coupled superconductors reanalyzed
journal, August 1975

Allen, P. B.; Dynes, R. C.
Physical Review B, Vol. 12, Issue 3
DOI: 10.1103/PhysRevB.12.905

Evidence for an edge supercurrent in the Weyl superconductor MoTe ₂
journal, April 2020

Wang, Wudi; Kim, Stephan; Liu, Minhao
Science, Vol. 368, Issue 6490
DOI: 10.1126/science.aaw9270

Discovery of Superconductivity in 2M WS 2 with Possible Topological Surface States
journal, June 2019

Fang, Yuqiang; Pan, Jie; Zhang, Dongqin
Advanced Materials
DOI: 10.1002/adma.201901942

Persistent Superconductivity in Ultrathin Pb Films: A Scanning Tunneling Spectroscopy Study
journal, January 2006

Eom, Daejin; Qin, S.; Chou, M. -Y.
Physical Review Letters, Vol. 96, Issue 2
DOI: 10.1103/PhysRevLett.96.027005

Phonons and related crystal properties from density-functional perturbation theory
journal, July 2001

Baroni, Stefano; de Gironcoli, Stefano; Dal Corso, Andrea
Reviews of Modern Physics, Vol. 73, Issue 2
DOI: 10.1103/RevModPhys.73.515

Band bendings, band offsets, and interface instabilities in $p^{+}$ -GaAs/ $n^{-}$ -ZnSe heterojunctions
journal, June 1989

Olego, D. J.
Physical Review B, Vol. 39, Issue 17
DOI: 10.1103/PhysRevB.39.12743

Single-gap superconductivity in $β − B i_{2} Pd$
journal, April 2016

Kačmarčík, J.; Pribulová, Z.; Samuely, T.
Physical Review B, Vol. 93, Issue 14
DOI: 10.1103/PhysRevB.93.144502

Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
journal, June 1999

Fuchs, Martin; Scheffler, Matthias
Computer Physics Communications, Vol. 119, Issue 1
DOI: 10.1016/S0010-4655(98)00201-X

Topological insulators with inversion symmetry
journal, July 2007

Fu, Liang; Kane, C. L.
Physical Review B, Vol. 76, Issue 4
DOI: 10.1103/PhysRevB.76.045302

Exploring Topological Superconductivity in Topological Materials
journal, July 2019

Li, Yupeng; Xu, Zhu‐An
Advanced Quantum Technologies, Vol. 2, Issue 9
DOI: 10.1002/qute.201800112

Evolution of the topologically protected surface states in superconductor β -Bi ₂ Pd from the three-dimensional to the two-dimensional limit
journal, July 2017

Wang, B. T.; Margine, Elena R.
Journal of Physics: Condensed Matter, Vol. 29, Issue 32
DOI: 10.1088/1361-648X/aa7a4b

Wannier90 as a community code: new features and applications
journal, January 2020

Pizzi, Giovanni; Vitale, Valerio; Arita, Ryotaro
Journal of Physics: Condensed Matter, Vol. 32, Issue 16
DOI: 10.1088/1361-648X/ab51ff

Majorana Zero Mode Detected with Spin Selective Andreev Reflection in the Vortex of a Topological Superconductor
journal, June 2016

Sun, Hao-Hua; Zhang, Kai-Wen; Hu, Lun-Hui
Physical Review Letters, Vol. 116, Issue 25
DOI: 10.1103/PhysRevLett.116.257003

Anisotropic Migdal-Eliashberg theory using Wannier functions
journal, January 2013

Margine, E. R.; Giustino, F.
Physical Review B, Vol. 87, Issue 2
DOI: 10.1103/PhysRevB.87.024505

Superconductivity with Topological Surface State in Sr _x Bi ₂ Se ₃
journal, August 2015

Liu, Zhongheng; Yao, Xiong; Shao, Jifeng
Journal of the American Chemical Society, Vol. 137, Issue 33
DOI: 10.1021/jacs.5b06815

Proximity-induced high-temperature superconductivity in the topological insulators Bi2Se3 and Bi2Te3
journal, January 2012

Zareapour, Parisa; Hayat, Alex; Zhao, Shu Yang F.
Nature Communications, Vol. 3, Issue 1
DOI: 10.1038/ncomms2042

Pressure-Induced Unconventional Superconducting Phase in the Topological Insulator ${Bi}_{2} {Se}_{3}$
journal, August 2013

Kirshenbaum, Kevin; Syers, P. S.; Hope, A. P.
Physical Review Letters, Vol. 111, Issue 8
DOI: 10.1103/PhysRevLett.111.087001

Topological Insulators in Three Dimensions
journal, March 2007

Fu, Liang; Kane, C. L.; Mele, E. J.
Physical Review Letters, Vol. 98, Issue 10, Article No. 106803
DOI: 10.1103/PhysRevLett.98.106803

Ultrathin two-dimensional superconductivity with strong spin–orbit coupling
journal, September 2016

Nam, Hyoungdo; Chen, Hua; Liu, Tijiang
Proceedings of the National Academy of Sciences, Vol. 113, Issue 38
DOI: 10.1073/pnas.1611967113

Superconducting Proximity Effect and Majorana Fermions at the Surface of a Topological Insulator
journal, March 2008

Fu, Liang; Kane, C. L.
Physical Review Letters, Vol. 100, Issue 9
DOI: 10.1103/PhysRevLett.100.096407

WannierTools: An open-source software package for novel topological materials
journal, March 2018

Wu, QuanSheng; Zhang, ShengNan; Song, Hai-Feng
Computer Physics Communications, Vol. 224
DOI: 10.1016/j.cpc.2017.09.033

A library of atomically thin metal chalcogenides
journal, April 2018

Zhou, Jiadong; Lin, Junhao; Huang, Xiangwei
Nature, Vol. 556, Issue 7701
DOI: 10.1038/s41586-018-0008-3

Superconductivity at 5.4 K in β-Bi ₂ Pd
journal, November 2012

Imai, Yoshinori; Nabeshima, Fuyuki; Yoshinaka, Taiki
Journal of the Physical Society of Japan, Vol. 81, Issue 11
DOI: 10.1143/JPSJ.81.113708

Electron-phonon coupling and pairing mechanism in $β - {Bi}_{2} Pd$ centrosymmetric superconductor
journal, January 2017

Zheng, Jing-Jing; Margine, E. R.
Physical Review B, Vol. 95, Issue 1
DOI: 10.1103/PhysRevB.95.014512

Observation of Majorana fermions in ferromagnetic atomic chains on a superconductor
journal, October 2014

Nadj-Perge, S.; Drozdov, I. K.; Li, J.
Science, Vol. 346, Issue 6209
DOI: 10.1126/science.1259327

Instability of metal-insulator transition against thermal cycling in phase separated Cr-doped manganites
journal, July 2001

Mahendiran, R.; Raveau, B.; Hervieu, M.
Physical Review B, Vol. 64, Issue 6
DOI: 10.1103/PhysRevB.64.064424

Full-gap superconductivity in spin-polarised surface states of topological semimetal β-PdBi2
journal, October 2017

Iwaya, K.; Kohsaka, Y.; Okawa, K.
Nature Communications, Vol. 8, Issue 1
DOI: 10.1038/s41467-017-01209-9

Highly convergent schemes for the calculation of bulk and surface Green functions
journal, April 1985

Sancho, M. P. Lopez; Sancho, J. M. Lopez; Sancho, J. M. L.
Journal of Physics F: Metal Physics, Vol. 15, Issue 4
DOI: 10.1088/0305-4608/15/4/009

Topological invariants for the Fermi surface of a time-reversal-invariant superconductor
journal, April 2010

Qi, Xiao-Liang; Hughes, Taylor L.; Zhang, Shou-Cheng
Physical Review B, Vol. 81, Issue 13
DOI: 10.1103/PhysRevB.81.134508

Observation of the nesting and defect-driven 1D incommensurate charge density waves phase in the 2D system
journal, January 2019

Matetskiy, A. V.; Denisov, N. V.; Hsing, C. R.
Journal of Physics: Condensed Matter, Vol. 31, Issue 11
DOI: 10.1088/1361-648x/aaf9ea

Similar Records in DOE PAGES and OSTI.GOV collections:

Enhancing superconductivity in bulk β–Bi₂Pd by negative pressure induced by quantum electronic stress

Journal Article Zhang, Xiaoming ; Zhao, Mingwen ; Liu, Feng - Physical Review B

An effective way to enhance the critical temperature (T_c) of bulk superconductivity (SC) is employing external pressure accompanied with or without phase transitions. However, the variations of T_c are not always “positively” proportional to the pressure even in the same superconducting phase. There exist a class of bulk superconductors such as β–Bi₂Pd, whose T_c will be suppressed by pressure starting from the atmospheric pressure. Then the pressure approach of enhancing SC becomes invalid because it is impossible to apply a negative pressure. Here we demonstrate that quantum electronic stress (QES) induced by electronic doping affords a general approach to furthermore »« less
Cited by 4
https://doi.org/10.1103/physrevb.100.104527

Full Text Available
Higher-Order Topology, Monopole Nodal Lines, and the Origin of Large Fermi Arcs in Transition Metal Dichalcogenides XTe₂ (X=Mo,W )

Journal Article Wang, Zhijun ; Wieder, Benjamin J. ; Li, Jian ; ... - Physical Review Letters

In recent years, transition metal dichalcogenides (TMDs) have garnered great interest as topological materials. In particular, monolayers of centrosymmetric β-phase TMDs have been identified as 2D topological insulators (TIs), and bulk crystals of noncentrosymmetric γ-phase MoTe₂ and WTe₂ have been identified as type-II Weyl semimetals. However, angle-resolved photoemission spectroscopy and STM probes of these semimetals have revealed huge, arclike surface states that overwhelm, and are sometimes mistaken for, the much smaller topological surface Fermi arcs of bulk type-II Weyl points. In this Letter, we calculate the bulk and surface electronic structure of both β- and γ-MoTe₂. We find that β-MoTe₂ is, in fact, amore »« less
https://doi.org/10.1103/physrevlett.123.186401

Full Text Available
Electronic band tuning under pressure in MoTe2 topological semimetal

Journal Article Dissanayake, Sachith ; Duan, Chunruo ; Yang, Junjie ; ... - npj Quantum Materials

Abstract Topological superconductors (TSC) can host exotic quasiparticles such as Majorana fermions, poised as the fundamental qubits for quantum computers. TSC’s are predicted to form a superconducting gap in the bulk, and gapless surface/edges states which can lead to the emergence of Majorana zero energy modes. A candidate TSC is the layered dichalcogenide MoTe ₂ , a type-II Weyl (semi)metal in the non-centrosymmetric orthorhombic (T _d ) phase. It becomes superconducting upon cooling below 0.25 K, while under pressure, superconductivity extends well beyond the structural boundary between the orthorhombic and monoclinic (1T′) phases. Here, we show that under pressure, coupled withmore »« less
Cited by 15
https://doi.org/10.1038/s41535-019-0187-7
Superconductivity and topological aspects of two-dimensional transition-metal monohalides

Journal Article Dong, Wen-Han ; Zhang, Yu-Yang ; Zhang, Yan-Fang ; ... - npj Computational Materials

Two-dimensional (2D) superconducting states have attracted much recent interest, especially when they coexist with nontrivial band topology which affords a promising approach towards Majorana fermions. Using first-principles calculations, we predict van der Waals monolayered transition-metal monohalides MX (M = Zr, Mo; X = F, Cl) as a class of 2D superconductors with remarkable transition temperature (5.9–12.4 K). Anisotropic Migdal-Eliashberg theory reveals that ZrCl have a single superconducting gap Δ ~ 2.14 meV, while MoCl is a two-gap superconductor with Δ ~ 1.96 and 1.37 meV. The Z₂ band topology of 2D MX is further demonstrated that MoF and MoCl aremore »« less
https://doi.org/10.1038/s41524-022-00871-y

Full Text Available
Low-energy surface states in the normal state of $α - {PdBi}_{2}$ superconductor

Journal Article Choi, Hongchul ; Neupane, Madhab ; Sasagawa, T. ; ... - Physical Review Materials

Topological superconductors as characterized by Majorana surface states have been actively searched for their significance in fundamental science and technological implication. The large spin-orbit coupling in Bi-Pd binaries has stimulated extensive investigations on the topological surface states in these superconducting compounds. Here we report a study of normal-state electronic structure in a centrosymmetric α-PdBi₂ within density functional theory calculations. By investigating the electronic structure from the bulk to slab geometries in this system, we predict for the first time that α-PdBi₂ can host orbital-dependent and asymmetric Rashba surface states near the Fermi energy. This study suggests that α-PdBi₂ will bemore »« less
Cited by 4
https://doi.org/10.1103/PhysRevMaterials.1.034201

Full Text Available

Similar Records

Title: Prediction of superconductivity and topological aspects in single-layer β-Bi2Pd

Abstract

Citation Formats

Superconductivity in topologically nontrivial material Au2Pb journal, July 2016

Non-Abelian statistics of axion strings journal, November 2003

Dirac metal to topological metal transition at a structural phase change in Au 2 Pb and prediction of Z 2 topology for the superconductor journal, June 2015

Charge-Density Wave and Superconducting Dome in TiSe 2 from Electron-Phonon Interaction journal, May 2011

High-temperature superconductivity in monolayer Bi2Sr2CaCu2O8+δ journal, October 2019

Unconventional superconductivity in magic-angle graphene superlattices journal, March 2018

Hybrid functionals based on a screened Coulomb potential journal, May 2003

An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions journal, August 2014

Doping-controlled phase transitions in single-layer MoS 2 journal, October 2017

Growth of layered superconductor β-PdBi2 films using molecular beam epitaxy journal, April 2017

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal, September 2009

Multigap anisotropic superconductivity in borophenes journal, October 2018

Superconductivity in one-atomic-layer metal films grown on Si(111) journal, January 2010

Nonhelical spin texture in the normal states of the centrosymmetric superconductor β − PdBi 2 journal, October 2019

Superconductivity above 100 K in single-layer FeSe films on doped SrTiO3 journal, November 2014

Superconducting topological surface states in the noncentrosymmetric bulk superconductor PbTaSe 2 journal, November 2016

Dirac surface states and nature of superconductivity in Noncentrosymmetric BiPd journal, March 2015

Topological Dirac surface states and superconducting pairing correlations in PbTaSe 2 journal, June 2016

Experimental signature of topological superconductivity and Majorana zero modes on β-Bi 2 Pd thin films journal, June 2017

Signatures of the topological s +− superconducting order parameter in the type-II Weyl semimetal T d-MoTe2 journal, October 2017

Topological superconducting phase in high-Tc superconductor MgB2 with Dirac–nodal-line fermions journal, May 2019

Experimental evidence of anomalously large superconducting gap on topological surface state of β-Bi2Pd film journal, September 2019

Chiral Majorana fermion modes in a quantum anomalous Hall insulator–superconductor structure journal, July 2017

Topologically protected surface states in a centrosymmetric superconductor β-PdBi2 journal, October 2015

Emergent surface superconductivity in the topological insulator Sb2Te3 journal, September 2015

Evidence of anisotropic Majorana bound states in 2M-WS2 journal, July 2019

β-PdBi2 monolayer: two-dimensional topological metal with superior catalytic activity for carbon dioxide electroreduction to formic acid journal, December 2020

Experimental Detection of a Majorana Mode in the core of a Magnetic Vortex inside a Topological Insulator-Superconductor Bi 2 Te 3 / NbSe 2 Heterostructure journal, January 2015

Phase diagram and electronic indication of high-temperature superconductivity at 65 K in single-layer FeSe films journal, May 2013

Superconductivity in Cu x Bi 2 Se 3 and its Implications for Pairing in the Undoped Topological Insulator journal, February 2010

High-precision sampling for Brillouin-zone integration in metals journal, August 1989

Pressure effect on the superconducting and the normal state of β − B i 2 Pd journal, April 2018

Quantum Anomalous Hall Effect in Graphene Proximity Coupled to an Antiferromagnetic Insulator journal, March 2014

Emergence of superconductivity in a Dirac nodal-line Cu 2 Si monolayer: ab initio calculations journal, January 2019

Spin-rotation symmetry breaking in the superconducting state of CuxBi2Se3 journal, May 2016

Superconductivity of monolayer Mo 2 C: The key role of functional groups journal, January 2017

Transition temperature of strong-coupled superconductors reanalyzed journal, August 1975

Evidence for an edge supercurrent in the Weyl superconductor MoTe 2 journal, April 2020

Discovery of Superconductivity in 2M WS 2 with Possible Topological Surface States journal, June 2019

Persistent Superconductivity in Ultrathin Pb Films: A Scanning Tunneling Spectroscopy Study journal, January 2006

Phonons and related crystal properties from density-functional perturbation theory journal, July 2001

Band bendings, band offsets, and interface instabilities in p + -GaAs/ n − -ZnSe heterojunctions journal, June 1989

Single-gap superconductivity in β − B i 2 Pd journal, April 2016

Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory journal, June 1999

Topological insulators with inversion symmetry journal, July 2007

Exploring Topological Superconductivity in Topological Materials journal, July 2019

Evolution of the topologically protected surface states in superconductor β -Bi 2 Pd from the three-dimensional to the two-dimensional limit journal, July 2017

Wannier90 as a community code: new features and applications journal, January 2020

Majorana Zero Mode Detected with Spin Selective Andreev Reflection in the Vortex of a Topological Superconductor journal, June 2016

Anisotropic Migdal-Eliashberg theory using Wannier functions journal, January 2013

Superconductivity with Topological Surface State in Sr x Bi 2 Se 3 journal, August 2015

Proximity-induced high-temperature superconductivity in the topological insulators Bi2Se3 and Bi2Te3 journal, January 2012

Pressure-Induced Unconventional Superconducting Phase in the Topological Insulator Bi 2 Se 3 journal, August 2013

Topological Insulators in Three Dimensions journal, March 2007

Ultrathin two-dimensional superconductivity with strong spin–orbit coupling journal, September 2016

Superconducting Proximity Effect and Majorana Fermions at the Surface of a Topological Insulator journal, March 2008

WannierTools: An open-source software package for novel topological materials journal, March 2018

A library of atomically thin metal chalcogenides journal, April 2018

Superconductivity at 5.4 K in β-Bi 2 Pd journal, November 2012

Electron-phonon coupling and pairing mechanism in β − Bi 2 Pd centrosymmetric superconductor journal, January 2017

Observation of Majorana fermions in ferromagnetic atomic chains on a superconductor journal, October 2014

Instability of metal-insulator transition against thermal cycling in phase separated Cr-doped manganites journal, July 2001

Full-gap superconductivity in spin-polarised surface states of topological semimetal β-PdBi2 journal, October 2017

Highly convergent schemes for the calculation of bulk and surface Green functions journal, April 1985

Topological invariants for the Fermi surface of a time-reversal-invariant superconductor journal, April 2010

Observation of the nesting and defect-driven 1D incommensurate charge density waves phase in the 2D system journal, January 2019

Title: Prediction of superconductivity and topological aspects in single-layer β-Bi₂Pd

Superconductivity in topologically nontrivial material Au2Pb
journal, July 2016

Non-Abelian statistics of axion strings
journal, November 2003

Dirac metal to topological metal transition at a structural phase change in ${Au}_{2} Pb$ and prediction of $Z_{2}$ topology for the superconductor
journal, June 2015

Charge-Density Wave and Superconducting Dome in ${TiSe}_{2}$ from Electron-Phonon Interaction
journal, May 2011

High-temperature superconductivity in monolayer Bi2Sr2CaCu2O8+δ
journal, October 2019

Unconventional superconductivity in magic-angle graphene superlattices
journal, March 2018

Hybrid functionals based on a screened Coulomb potential
journal, May 2003

An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
journal, August 2014

Doping-controlled phase transitions in single-layer ${MoS}_{2}$
journal, October 2017

Growth of layered superconductor β-PdBi2 films using molecular beam epitaxy
journal, April 2017

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

Multigap anisotropic superconductivity in borophenes
journal, October 2018

Superconductivity in one-atomic-layer metal films grown on Si(111)
journal, January 2010

Nonhelical spin texture in the normal states of the centrosymmetric superconductor $β − {PdBi}_{2}$
journal, October 2019

Superconductivity above 100 K in single-layer FeSe films on doped SrTiO3
journal, November 2014

Superconducting topological surface states in the noncentrosymmetric bulk superconductor PbTaSe ₂
journal, November 2016

Dirac surface states and nature of superconductivity in Noncentrosymmetric BiPd
journal, March 2015

Topological Dirac surface states and superconducting pairing correlations in ${PbTaSe}_{2}$
journal, June 2016

Experimental signature of topological superconductivity and Majorana zero modes on β-Bi 2 Pd thin films
journal, June 2017

Signatures of the topological s +− superconducting order parameter in the type-II Weyl semimetal T d-MoTe2
journal, October 2017

Topological superconducting phase in high-Tc superconductor MgB2 with Dirac–nodal-line fermions
journal, May 2019

Experimental evidence of anomalously large superconducting gap on topological surface state of β-Bi2Pd film
journal, September 2019

Chiral Majorana fermion modes in a quantum anomalous Hall insulator–superconductor structure
journal, July 2017

Topologically protected surface states in a centrosymmetric superconductor β-PdBi2
journal, October 2015

Emergent surface superconductivity in the topological insulator Sb2Te3
journal, September 2015

Evidence of anisotropic Majorana bound states in 2M-WS2
journal, July 2019

β-PdBi2 monolayer: two-dimensional topological metal with superior catalytic activity for carbon dioxide electroreduction to formic acid
journal, December 2020

Experimental Detection of a Majorana Mode in the core of a Magnetic Vortex inside a Topological Insulator-Superconductor ${Bi}_{2} {Te}_{3} / {NbSe}_{2}$ Heterostructure
journal, January 2015

Phase diagram and electronic indication of high-temperature superconductivity at 65 K in single-layer FeSe films
journal, May 2013

Superconductivity in ${Cu}_{x} {Bi}_{2} {Se}_{3}$ and its Implications for Pairing in the Undoped Topological Insulator
journal, February 2010

High-precision sampling for Brillouin-zone integration in metals
journal, August 1989

Pressure effect on the superconducting and the normal state of $β - B i_{2} Pd$
journal, April 2018

Quantum Anomalous Hall Effect in Graphene Proximity Coupled to an Antiferromagnetic Insulator
journal, March 2014

Emergence of superconductivity in a Dirac nodal-line Cu ₂ Si monolayer: ab initio calculations
journal, January 2019

Spin-rotation symmetry breaking in the superconducting state of CuxBi2Se3
journal, May 2016

Superconductivity of monolayer Mo ₂ C: The key role of functional groups
journal, January 2017

Transition temperature of strong-coupled superconductors reanalyzed
journal, August 1975

Evidence for an edge supercurrent in the Weyl superconductor MoTe ₂
journal, April 2020

Discovery of Superconductivity in 2M WS 2 with Possible Topological Surface States
journal, June 2019

Persistent Superconductivity in Ultrathin Pb Films: A Scanning Tunneling Spectroscopy Study
journal, January 2006

Phonons and related crystal properties from density-functional perturbation theory
journal, July 2001

Band bendings, band offsets, and interface instabilities in $p^{+}$ -GaAs/ $n^{-}$ -ZnSe heterojunctions
journal, June 1989

Single-gap superconductivity in $β − B i_{2} Pd$
journal, April 2016

Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
journal, June 1999

Topological insulators with inversion symmetry
journal, July 2007

Exploring Topological Superconductivity in Topological Materials
journal, July 2019

Evolution of the topologically protected surface states in superconductor β -Bi ₂ Pd from the three-dimensional to the two-dimensional limit
journal, July 2017

Wannier90 as a community code: new features and applications
journal, January 2020

Majorana Zero Mode Detected with Spin Selective Andreev Reflection in the Vortex of a Topological Superconductor
journal, June 2016

Anisotropic Migdal-Eliashberg theory using Wannier functions
journal, January 2013

Superconductivity with Topological Surface State in Sr _x Bi ₂ Se ₃
journal, August 2015

Proximity-induced high-temperature superconductivity in the topological insulators Bi2Se3 and Bi2Te3
journal, January 2012

Pressure-Induced Unconventional Superconducting Phase in the Topological Insulator ${Bi}_{2} {Se}_{3}$
journal, August 2013

Topological Insulators in Three Dimensions
journal, March 2007

Ultrathin two-dimensional superconductivity with strong spin–orbit coupling
journal, September 2016

Superconducting Proximity Effect and Majorana Fermions at the Surface of a Topological Insulator
journal, March 2008

WannierTools: An open-source software package for novel topological materials
journal, March 2018

A library of atomically thin metal chalcogenides
journal, April 2018

Superconductivity at 5.4 K in β-Bi ₂ Pd
journal, November 2012

Electron-phonon coupling and pairing mechanism in $β - {Bi}_{2} Pd$ centrosymmetric superconductor
journal, January 2017

Observation of Majorana fermions in ferromagnetic atomic chains on a superconductor
journal, October 2014

Instability of metal-insulator transition against thermal cycling in phase separated Cr-doped manganites
journal, July 2001

Full-gap superconductivity in spin-polarised surface states of topological semimetal β-PdBi2
journal, October 2017

Highly convergent schemes for the calculation of bulk and surface Green functions
journal, April 1985

Topological invariants for the Fermi surface of a time-reversal-invariant superconductor
journal, April 2010

Observation of the nesting and defect-driven 1D incommensurate charge density waves phase in the 2D system
journal, January 2019