Single pair of Weyl fermions in the half-metallic semimetal [A Single Pair of Weyl Fermions in Half-metallic EuCd2As2 Semimetal]
Abstract
Materials with the ideal case of a single pair of Weyl points (WPs) are highly desirable for elucidating the unique properties of Weyl fermions. EuCd2As2 is an antiferromagnetic topological insulator or Dirac semimetal depending on the different magnetic configurations. Using first-principles band-structure calculations, we show that inducing ferromagnetism in EuCd2As2 can generate a single pair of WPs from splitting the single pair of antiferromagnetic Dirac points due to its half-metallic nature. Analysis with a low-energy effective Hamiltonian shows that a single pair of WPs is obtained in EuCd2As2 because the Dirac points are very close to the zone center and the ferromagnetic exchange splitting is large enough to push one pair of WPs to merge and annihilate at Γ while the other pair survives. As a result, we predict that alloying with Ba at the Eu site can stabilize the ferromagnetic configuration and generate a single pair of Weyl points without application of a magnetic field.
- Authors:
-
- Ames Lab., Ames, IA (United States)
- Iowa State Univ., Ames, IA (United States)
- Ames Lab. and Iowa State Univ., Ames, IA (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for the Advancement of Topological Semimetals (CATS); Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1542945
- Alternate Identifier(s):
- OSTI ID: 1546278
- Report Number(s):
- IS-J-9874
Journal ID: ISSN 2469-9950; PRBMDO
- Grant/Contract Number:
- AC02-07CH11358
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 99; Journal Issue: 24; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Wang, Lin -Lin, Jo, Na Hyun, Kuthanazhi, Brinda, Wu, Yun, McQueeney, Robert J., Kaminski, Adam, and Canfield, Paul C. Single pair of Weyl fermions in the half-metallic semimetal EuCd2As2 [A Single Pair of Weyl Fermions in Half-metallic EuCd2As2 Semimetal]. United States: N. p., 2019.
Web. doi:10.1103/PhysRevB.99.245147.
Wang, Lin -Lin, Jo, Na Hyun, Kuthanazhi, Brinda, Wu, Yun, McQueeney, Robert J., Kaminski, Adam, & Canfield, Paul C. Single pair of Weyl fermions in the half-metallic semimetal EuCd2As2 [A Single Pair of Weyl Fermions in Half-metallic EuCd2As2 Semimetal]. United States. https://doi.org/10.1103/PhysRevB.99.245147
Wang, Lin -Lin, Jo, Na Hyun, Kuthanazhi, Brinda, Wu, Yun, McQueeney, Robert J., Kaminski, Adam, and Canfield, Paul C. Sat .
"Single pair of Weyl fermions in the half-metallic semimetal EuCd2As2 [A Single Pair of Weyl Fermions in Half-metallic EuCd2As2 Semimetal]". United States. https://doi.org/10.1103/PhysRevB.99.245147. https://www.osti.gov/servlets/purl/1542945.
@article{osti_1542945,
title = {Single pair of Weyl fermions in the half-metallic semimetal EuCd2As2 [A Single Pair of Weyl Fermions in Half-metallic EuCd2As2 Semimetal]},
author = {Wang, Lin -Lin and Jo, Na Hyun and Kuthanazhi, Brinda and Wu, Yun and McQueeney, Robert J. and Kaminski, Adam and Canfield, Paul C.},
abstractNote = {Materials with the ideal case of a single pair of Weyl points (WPs) are highly desirable for elucidating the unique properties of Weyl fermions. EuCd2As2 is an antiferromagnetic topological insulator or Dirac semimetal depending on the different magnetic configurations. Using first-principles band-structure calculations, we show that inducing ferromagnetism in EuCd2As2 can generate a single pair of WPs from splitting the single pair of antiferromagnetic Dirac points due to its half-metallic nature. Analysis with a low-energy effective Hamiltonian shows that a single pair of WPs is obtained in EuCd2As2 because the Dirac points are very close to the zone center and the ferromagnetic exchange splitting is large enough to push one pair of WPs to merge and annihilate at Γ while the other pair survives. As a result, we predict that alloying with Ba at the Eu site can stabilize the ferromagnetic configuration and generate a single pair of Weyl points without application of a magnetic field.},
doi = {10.1103/PhysRevB.99.245147},
journal = {Physical Review B},
number = 24,
volume = 99,
place = {United States},
year = {Sat Jun 15 00:00:00 EDT 2019},
month = {Sat Jun 15 00:00:00 EDT 2019}
}
Web of Science
Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Topological insulators and superconductors
journal, October 2011
- Qi, Xiao-Liang; Zhang, Shou-Cheng
- Reviews of Modern Physics, Vol. 83, Issue 4
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Dirac and Weyl Semimetal in XYBi (X = Ba, Eu; Y = Cu, Ag and Au)
journal, September 2015
- Du, Yongping; Wan, Bo; Wang, Di
- Scientific Reports, Vol. 5, Issue 1
Maximally localized Wannier functions: Theory and applications
journal, October 2012
- Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R.
- Reviews of Modern Physics, Vol. 84, Issue 4
Simple scheme for surface-band calculations. II. The Green's function
journal, May 1981
- Lee, D. H.; Joannopoulos, J. D.
- Physical Review B, Vol. 23, Issue 10
Three-dimensional Dirac semimetal and quantum transport in Cd As
journal, September 2013
- Wang, Zhijun; Weng, Hongming; Wu, Quansheng
- Physical Review B, Vol. 88, Issue 12
AM2X2-Verbindungen mit CaAl2Si2-Struktur. XI. Struktur und Eigenschaften der VerbindungenACd2X2 (A: Eu, Yb;X: P, As, Sb)
journal, April 1996
- Artmann, A.; Mewis, A.; Roepke, M.
- Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 622, Issue 4
Time-Reversal-Breaking Weyl Fermions in Magnetic Heusler Alloys
journal, November 2016
- Wang, Zhijun; Vergniory, M. G.; Kushwaha, S.
- Physical Review Letters, Vol. 117, Issue 23
Classification of stable three-dimensional Dirac semimetals with nontrivial topology
journal, September 2014
- Yang, Bohm-Jung; Nagaosa, Naoto
- Nature Communications, Vol. 5, Issue 1
A 121Sb and 151Eu Mössbauer Spectroscopic Investigation of EuCd2X2 (X = P, As, Sb) and YbCd2Sb2
journal, May 2011
- Schellenberg, Inga; Pfannenschmidt, Ulrike; Eul, Matthias
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 637, Issue 12
Chern Semimetal and the Quantized Anomalous Hall Effect in
journal, October 2011
- Xu, Gang; Weng, Hongming; Wang, Zhijun
- Physical Review Letters, Vol. 107, Issue 18
Maximally localized generalized Wannier functions for composite energy bands
journal, November 1997
- Marzari, Nicola; Vanderbilt, David
- Physical Review B, Vol. 56, Issue 20
Weyl Semimetal Phase in Noncentrosymmetric Transition-Metal Monophosphides
journal, March 2015
- Weng, Hongming; Fang, Chen; Fang, Zhong
- Physical Review X, Vol. 5, Issue 1
Dirac semimetal in type-IV magnetic space groups
journal, November 2018
- Hua, Guiyuan; Nie, Simin; Song, Zhida
- Physical Review B, Vol. 98, Issue 20
Topological Axion States in the Magnetic Insulator with the Quantized Magnetoelectric Effect
journal, May 2019
- Zhang, Dongqin; Shi, Minji; Zhu, Tongshuai
- Physical Review Letters, Vol. 122, Issue 20
Classification of topological quantum matter with symmetries
journal, August 2016
- Chiu, Ching-Kai; Teo, Jeffrey C. Y.; Schnyder, Andreas P.
- Reviews of Modern Physics, Vol. 88, Issue 3
A Single Pair of Weyl Fermions in Half-metallic EuCd 2 As 2 Semimetal
dataset, January 2019
- Wang, Lin-lin; Jo, Na Hyun; Kuthanazhi, Brinda
- Materials Data Facility
Anomalous Hall Effect in Weyl Metals
journal, October 2014
- Burkov, A. A.
- Physical Review Letters, Vol. 113, Issue 18
Anisotropic transport and optical spectroscopy study on antiferromagnetic triangular lattice : An interplay between magnetism and charge transport properties
journal, July 2016
- Wang, H. P.; Wu, D. S.; Shi, Y. G.
- Physical Review B, Vol. 94, Issue 4
Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965
- Kohn, W.; Sham, L. J.
- Physical Review, Vol. 140, Issue 4A, p. A1133-A1138
Temperature-Induced Lifshitz Transition in
journal, October 2015
- Wu, Yun; Jo, Na Hyun; Ochi, Masayuki
- Physical Review Letters, Vol. 115, Issue 16
Quick iterative scheme for the calculation of transfer matrices: application to Mo (100)
journal, May 1984
- Sancho, M. P. Lopez; Sancho, J. M. Lopez; Rubio, J.
- Journal of Physics F: Metal Physics, Vol. 14, Issue 5
Weyl and Dirac semimetals in three-dimensional solids
journal, January 2018
- Armitage, N. P.; Mele, E. J.; Vishwanath, Ashvin
- Reviews of Modern Physics, Vol. 90, Issue 1
Spectroscopic evidence for a type II Weyl semimetallic state in MoTe2
journal, July 2016
- Huang, Lunan; McCormick, Timothy M.; Ochi, Masayuki
- Nature Materials, Vol. 15, Issue 11
Prediction of a Weyl semimetal in Te
journal, February 2014
- Bulmash, Daniel; Liu, Chao-Xing; Qi, Xiao-Liang
- Physical Review B, Vol. 89, Issue 8
Fermi arc electronic structure and Chern numbers in the type-II Weyl semimetal candidate
journal, August 2016
- Belopolski, Ilya; Xu, Su-Yang; Ishida, Yukiaki
- Physical Review B, Vol. 94, Issue 8
Type-II Weyl semimetals
journal, November 2015
- Soluyanov, Alexey A.; Gresch, Dominik; Wang, Zhijun
- Nature, Vol. 527, Issue 7579
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Experimental Observation of the Quantum Anomalous Hall Effect in a Magnetic Topological Insulator
journal, March 2013
- Chang, C. -Z.; Zhang, J.; Feng, X.
- Science, Vol. 340, Issue 6129
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
First-principles study of electronic structure, transport, and optical properties of
journal, September 2018
- Krishna, Jyoti; Nautiyal, T.; Maitra, T.
- Physical Review B, Vol. 98, Issue 12
Colloquium: Topological insulators
journal, November 2010
- Hasan, M. Z.; Kane, C. L.
- Reviews of Modern Physics, Vol. 82, Issue 4, p. 3045-3067
Experimental Realization of an Intrinsic Magnetic Topological Insulator *
journal, June 2019
- Gong, Yan; Guo, Jingwen; Li, Jiaheng
- Chinese Physics Letters, Vol. 36, Issue 7
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Weyl Semimetal in a Topological Insulator Multilayer
journal, September 2011
- Burkov, A. A.; Balents, Leon
- Physical Review Letters, Vol. 107, Issue 12
Magnetoelectric Polarizability and Axion Electrodynamics in Crystalline Insulators
journal, April 2009
- Essin, Andrew M.; Moore, Joel E.; Vanderbilt, David
- Physical Review Letters, Vol. 102, Issue 14
Discovery of a Weyl fermion semimetal and topological Fermi arcs
journal, July 2015
- Xu, S. -Y.; Belopolski, I.; Alidoust, N.
- Science, Vol. 349, Issue 6248
Inhomogeneous Electron Gas
journal, November 1964
- Hohenberg, P.; Kohn, W.
- Physical Review, Vol. 136, Issue 3B, p. B864-B871
Antiferromagnetic topological insulators
journal, June 2010
- Mong, Roger S. K.; Essin, Andrew M.; Moore, Joel E.
- Physical Review B, Vol. 81, Issue 24
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
Simple scheme for surface-band calculations. I
journal, May 1981
- Lee, D. H.; Joannopoulos, J. D.
- Physical Review B, Vol. 23, Issue 10
Observation of Fermi arcs in the type-II Weyl semimetal candidate
journal, September 2016
- Wu, Yun; Mou, Daixiang; Jo, Na Hyun
- Physical Review B, Vol. 94, Issue 12
Dirac fermions in an antiferromagnetic semimetal
journal, August 2016
- Tang, Peizhe; Zhou, Quan; Xu, Gang
- Nature Physics, Vol. 12, Issue 12
Coupling of magnetic order and charge transport in the candidate Dirac semimetal
journal, June 2018
- Rahn, M. C.; Soh, J. -R.; Francoual, S.
- Physical Review B, Vol. 97, Issue 21
Maximally localized Wannier functions for entangled energy bands
journal, December 2001
- Souza, Ivo; Marzari, Nicola; Vanderbilt, David
- Physical Review B, Vol. 65, Issue 3
Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates
journal, May 2011
- Wan, Xiangang; Turner, Ari M.; Vishwanath, Ashvin
- Physical Review B, Vol. 83, Issue 20
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
A Weyl Fermion semimetal with surface Fermi arcs in the transition metal monopnictide TaAs class
journal, June 2015
- Huang, Shin-Ming; Xu, Su-Yang; Belopolski, Ilya
- Nature Communications, Vol. 6, Issue 1
High-resolution X-ray luminescence extension imaging
journal, February 2021
- Ou, Xiangyu; Qin, Xian; Huang, Bolong
- Nature, Vol. 590, Issue 7846
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
journal, February 2020
- Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna
- Scientific Reports, Vol. 10, Issue 1
WannierTools: An open-source software package for novel topological materials
text, January 2018
- Wu, QuanSheng; Zhang, ShengNan; Song, Hai-Feng
- Elsevier
Weyl Semimetal in a Topological Insulator Multilayer
text, January 2011
- Burkov, A. A.; Balents, Leon
- arXiv
Maximally localized Wannier functions: Theory and applications
text, January 2011
- Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R.
- arXiv
Weyl semimetal phase in non-centrosymmetric transition metal monophosphides
text, January 2015
- Weng, Hongming; Fang, Chen; Fang, Zhong
- arXiv
Discovery of a Weyl Fermion Semimetal and Topological Fermi Arcs
text, January 2015
- Xu, Su-Yang; Belopolski, Ilya; Alidoust, Nasser
- arXiv
Experimental discovery of Weyl semimetal TaAs
text, January 2015
- Lv, B. Q.; Weng, H. M.; Fu, B. B.
- arXiv
Classification of topological quantum matter with symmetries
text, January 2015
- Chiu, Ching-Kai; Teo, Jeffrey C. Y.; Schnyder, Andreas P.
- arXiv
Type-II Weyl Semimetals
text, January 2015
- Soluyanov, Alexey A.; Gresch, Dominik; Wang, Zhijun
- arXiv
Spectroscopic evidence for type II Weyl semimetal state in MoTe2
text, January 2016
- Huang, Lunan; McCormick, Timothy M.; Ochi, Masayuki
- arXiv
Experimental Observation of the Quantum Anomalous Hall Effect in a Magnetic Topological Insulator
text, January 2016
- Chang, Cui-Zu; Zhang, Jinsong; Feng, Xiao
- arXiv
WannierTools: An open-source software package for novel topological materials
text, January 2017
- Wu, QuanSheng; Zhang, ShengNan; Song, Hai-Feng
- arXiv
Weyl and Dirac Semimetals in Three Dimensional Solids
text, January 2017
- Armitage, N. P.; Mele, E. J.; Vishwanath, Ashvin
- arXiv
Experimental realization of an intrinsic magnetic topological insulator
text, January 2018
- Gong, Yan; Guo, Jingwen; Li, Jiaheng
- arXiv
Maximally-localized Wannier functions for entangled energy bands
text, January 2001
- Souza, Ivo; Marzari, Nicola; Vanderbilt, David
- arXiv
Works referencing / citing this record:
Field-effect transistor based on surface negative refraction in Weyl nanowire
journal, January 2020
- Chen, Guangze; Chen, Wei; Zilberberg, Oded
- APL Materials, Vol. 8, Issue 1
Magnetic exchange induced Weyl state in a semimetal EuCd 2 Sb 2
journal, January 2020
- Su, Hao; Gong, Benchao; Shi, Wujun
- APL Materials, Vol. 8, Issue 1
Field-effect transistor based on surface negative refraction in Weyl nanowire
text, January 2020
- Chen, Guangze; Chen, Wei; Zilberberg, Oded
- ETH Zurich
Spin-to-charge conversion in magnetic Weyl semimetals
text, January 2019
- Zhang, Steven S. -L.; Burkov, Anton A.; Martin, Ivar
- arXiv