Direct observation of strain-induced orbital valence band splitting in HfSe2 by sodium intercalation

Eknapakul, T.; Fongkaew, I.; Siriroj, S.; Jindata, W.; Chaiyachad, S.; Mo, S. -K.; Thakur, S.; Petaccia, L.; Takagi, H.; Limpijumnong, S.; Meevasana, W.

doi:10.1103/PhysRevB.97.201104

Title: Direct observation of strain-induced orbital valence band splitting in HfSe2 by sodium intercalation

Journal Article · 07 May 2018 · Physical Review B

DOI: https://doi.org/10.1103/PhysRevB.97.201104 · OSTI ID:1571102

Eknapakul, T. ^[1]; Fongkaew, I. ^[1]; Siriroj, S. ^[1]; Jindata, W. ^[1]; Chaiyachad, S. ^[1]; Mo, S. -K. ^[2]; Thakur, S. ^[3]; Petaccia, L. ^[3]; Takagi, H. ^[4]; Limpijumnong, S. ^[5]; Meevasana, W. ^[5]

Suranaree Univ. of Technology, Nakhon Ratchasima (Thailand). School of Physics
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Elettra Sincrotrone Trieste, Trieste (Italy)
Univ. of Tokyo, Tokyo (Japan). Dept. of Physics; Max-Planck Inst. for Solid States Research, Stuttgart (Germany)
Suranaree Univ. of Technology, Nakhon Ratchasima (Thailand). School of Physics, and NANOTEC-SUT Center of Excellence on Advanced Functional Nanomaterials

By using angle-resolved photoemission spectroscopy (ARPES), the variation of the electronic structure of HfSe₂ has been studied as a function of sodium intercalation. We observe how this drives a band splitting of the p-orbital valence bands and a simultaneous reduction of the indirect band gap by values of up to 400 and 280 meV, respectively. Our calculations indicate that such behavior is driven by the band deformation potential, which is a result of our observed strain induced by sodium intercalation. The applied uniaxial strain calculations based on density functional theory agree strongly with the experimental ARPES data. Finally, these findings should assist in studying the physical relationship between intercalation and strain, as well as for large-scale two-dimensional straintronics.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22), Scientific User Facilities Division (SC-22.3 ); USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1571102

Alternate ID(s):: OSTI ID: 1436201

Journal Information:: Physical Review B, Vol. 97, Issue 20; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 12 works

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References (55)

Optical detection of strain and doping inhomogeneities in single layer MoS ₂ Michail, A.; Delikoukos, N.; Parthenios, J. Applied Physics Letters, Vol. 108, Issue 17 https://doi.org/10.1063/1.4948357	journal	April 2016
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Strain-induced valence-subband splitting in III-V semiconductors Silver, M.; Batty, W.; Ghiti, A. Physical Review B, Vol. 46, Issue 11 https://doi.org/10.1103/PhysRevB.46.6781	journal	September 1992
Tuning Electronic and Magnetic Properties of Early Transition-Metal Dichalcogenides via Tensile Strain Guo, Hongyan; Lu, Ning; Wang, Lu The Journal of Physical Chemistry C, Vol. 118, Issue 13 https://doi.org/10.1021/jp501734s	journal	March 2014
HfSe ₂ Thin Films: 2D Transition Metal Dichalcogenides Grown by Molecular Beam Epitaxy Yue, Ruoyu; Barton, Adam T.; Zhu, Hui ACS Nano, Vol. 9, Issue 1 https://doi.org/10.1021/nn5056496	journal	December 2014
Strain Engineering for Transition Metal Dichalcogenides Based Field Effect Transistors Shen, Tingting; Penumatcha, Ashish V.; Appenzeller, Joerg ACS Nano, Vol. 10, Issue 4 https://doi.org/10.1021/acsnano.6b01149	journal	April 2016
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Band-edge deformation potentials in a tight-binding framework Priester, C.; Allan, G.; Lannoo, M. Physical Review B, Vol. 37, Issue 14 https://doi.org/10.1103/PhysRevB.37.8519	journal	May 1988
Negative electronic compressibility and tunable spin splitting in WSe2 Riley, J. M.; Meevasana, W.; Bawden, L. Nature Nanotechnology, Vol. 10, Issue 12 https://doi.org/10.1038/nnano.2015.217	journal	September 2015
Electrical characterization of multilayer HfSe ₂ field-effect transistors on SiO ₂ substrate Kang, Moonshik; Rathi, Servin; Lee, Inyeal Applied Physics Letters, Vol. 106, Issue 14 https://doi.org/10.1063/1.4917458	journal	April 2015
Evidence of the Existence of Magnetism in Pristine VX ₂ Monolayers (X = S, Se) and Their Strain-Induced Tunable Magnetic Properties Ma, Yandong; Dai, Ying; Guo, Meng ACS Nano, Vol. 6, Issue 2 https://doi.org/10.1021/nn204667z	journal	January 2012
Spin–orbit coupling in the band structure of monolayer WSe ₂ Le, Duy; Barinov, Alexei; Preciado, Edwin Journal of Physics: Condensed Matter, Vol. 27, Issue 18 https://doi.org/10.1088/0953-8984/27/18/182201	journal	April 2015
Intercalation in two-dimensional transition metal chalcogenides Jung, Yeonwoong; Zhou, Yu; Cha, Judy J. Inorganic Chemistry Frontiers, Vol. 3, Issue 4 https://doi.org/10.1039/C5QI00242G	journal	January 2016
Tensile Strain Switched Ferromagnetism in Layered NbS ₂ and NbSe ₂ Zhou, Yungang; Wang, Zhiguo; Yang, Ping ACS Nano, Vol. 6, Issue 11 https://doi.org/10.1021/nn303198w	journal	October 2012
Two-dimensional semiconductors with possible high room temperature mobility Zhang, Wenxu; Huang, Zhishuo; Zhang, Wanli Nano Research, Vol. 7, Issue 12 https://doi.org/10.1007/s12274-014-0532-x	journal	September 2014
Electronic and Magnetic Properties of Quasifreestanding Graphene on Ni Varykhalov, A.; Sánchez-Barriga, J.; Shikin, A. M. Physical Review Letters, Vol. 101, Issue 15 https://doi.org/10.1103/PhysRevLett.101.157601	journal	October 2008
Suppression and emergence of charge-density waves at the surfaces of layered 1 T -TiSe ₂ and 1 T -TaS ₂ by in situ Rb deposition Rossnagel, K. New Journal of Physics, Vol. 12, Issue 12 https://doi.org/10.1088/1367-2630/12/12/125018	journal	December 2010
Degenerate n-Doping of Few-Layer Transition Metal Dichalcogenides by Potassium Fang, Hui; Tosun, Mahmut; Seol, Gyungseon Nano Letters, Vol. 13, Issue 5, p. 1991-1995 https://doi.org/10.1021/nl400044m	journal	April 2013
Atomic-Scale Clarification of Structural Transition of MoS ₂ upon Sodium Intercalation Wang, Xuefeng; Shen, Xi; Wang, Zhaoxiang ACS Nano, Vol. 8, Issue 11 https://doi.org/10.1021/nn505501v	journal	November 2014
Strain modulated band gap of edge passivated armchair graphene nanoribbons Peng, Xihong; Velasquez, Selina Applied Physics Letters, Vol. 98, Issue 2 https://doi.org/10.1063/1.3536481	journal	January 2011
Two-dimensional semiconductor HfSe ₂ and MoSe ₂ /HfSe ₂ van der Waals heterostructures by molecular beam epitaxy Aretouli, K. E.; Tsipas, P.; Tsoutsou, D. Applied Physics Letters, Vol. 106, Issue 14 https://doi.org/10.1063/1.4917422	journal	April 2015
Bandgap Engineering of Strained Monolayer and Bilayer MoS₂ Conley, Hiram J.; Wang, Bin; Ziegler, Jed I. Nano Letters, Vol. 13, Issue 8, p. 3626-3630 https://doi.org/10.1021/nl4014748	journal	July 2013
Electrical Anisotropy of Layered Compound ZrSe ₂ and HfSe ₂ Zheng, Xu-guaug; Kuriyaki, Hisao; Hirakawa, Kazuyoshi Journal of the Physical Society of Japan, Vol. 58, Issue 2 https://doi.org/10.1143/JPSJ.58.622	journal	February 1989
Direct observation of spin-polarized bulk bands in an inversion-symmetric semiconductor Riley, J. M.; Mazzola, F.; Dendzik, M. Nature Physics, Vol. 10, Issue 11 https://doi.org/10.1038/nphys3105	journal	October 2014
Electronic properties of intercalation complexes of the transition metal dichalcogenides Friend, R. H.; Yoffe, A. D. Advances in Physics, Vol. 36, Issue 1 https://doi.org/10.1080/00018738700101951	journal	January 1987
Electronic Structure of a Quasi-Freestanding MoS ₂ Monolayer Eknapakul, T.; King, P. D. C.; Asakawa, M. Nano Letters, Vol. 14, Issue 3 https://doi.org/10.1021/nl4042824	journal	February 2014
MoS ₂ Nanosheet Phototransistors with Thickness-Modulated Optical Energy Gap Lee, Hee Sung; Min, Sung-Wook; Chang, Youn-Gyung Nano Letters, Vol. 12, Issue 7 https://doi.org/10.1021/nl301485q	journal	June 2012
Zeeman-type spin splitting controlled by an electric field Yuan, Hongtao; Bahramy, Mohammad Saeed; Morimoto, Kazuhiro Nature Physics, Vol. 9, Issue 9 https://doi.org/10.1038/nphys2691	journal	July 2013
Effect of the damping function in dispersion corrected density functional theory Grimme, Stefan; Ehrlich, Stephan; Goerigk, Lars Journal of Computational Chemistry, Vol. 32, Issue 7 https://doi.org/10.1002/jcc.21759	journal	March 2011
Two-Dimensional Materials from Data Filtering and Ab Initio Calculations Lebègue, S.; Björkman, T.; Klintenberg, M. Physical Review X, Vol. 3, Issue 3 https://doi.org/10.1103/PhysRevX.3.031002	journal	July 2013
First principle study of unzipped zinc oxide nanotubes Fathalian, Ali; Jalilian, Jaafar Physics Letters A, Vol. 374, Issue 46 https://doi.org/10.1016/j.physleta.2010.09.042	journal	October 2010
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 78, Issue 7 https://doi.org/10.1103/PhysRevLett.78.1396	journal	February 1997
Quasi-Free-Standing Epitaxial Graphene on SiC Obtained by Hydrogen Intercalation Riedl, C.; Coletti, C.; Iwasaki, T. Physical Review Letters, Vol. 103, Issue 24 https://doi.org/10.1103/PhysRevLett.103.246804	journal	December 2009
Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2 Zhang, Yi; Chang, Tay-Rong; Zhou, Bo Nature Nanotechnology, Vol. 9, Issue 2 https://doi.org/10.1038/nnano.2013.277	journal	December 2013
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras Nature Nanotechnology, Vol. 7, Issue 11, p. 699-712 https://doi.org/10.1038/nnano.2012.193	journal	November 2012
The transition metal dichalcogenides discussion and interpretation of the observed optical, electrical and structural properties Wilson, J. A.; Yoffe, A. D. Advances in Physics, Vol. 18, Issue 73 https://doi.org/10.1080/00018736900101307	journal	May 1969
Band Structures of Transition-Metal-Dichalcogenide Layer Compounds Mattheiss, L. F. Physical Review B, Vol. 8, Issue 8 https://doi.org/10.1103/PhysRevB.8.3719	journal	October 1973
Electronic structure of MoSe 2 , MoS 2 , and WSe 2 . I. Band-structure calculations and photoelectron spectroscopy Coehoorn, R.; Haas, C.; Dijkstra, J. Physical Review B, Vol. 35, Issue 12 https://doi.org/10.1103/PhysRevB.35.6195	journal	April 1987
Strain engineering of electronic properties of transition metal dichalcogenide monolayers Maniadaki, Aristea E.; Kopidakis, Georgios; Remediakis, Ioannis N. Solid State Communications, Vol. 227 https://doi.org/10.1016/j.ssc.2015.11.017	journal	February 2016
Evolution of the Electronic Structure of 1 T − Cu x TiSe 2 Zhao, J. F.; Ou, H. W.; Wu, G. Physical Review Letters, Vol. 99, Issue 14 https://doi.org/10.1103/PhysRevLett.99.146401	journal	October 2007
Phase engineering of monolayer transition-metal dichalcogenide through coupled electron doping and lattice deformation Ouyang, Bin; Lan, Guoqiang; Guo, Yinsheng Applied Physics Letters, Vol. 107, Issue 19 https://doi.org/10.1063/1.4934836	journal	November 2015
Controlled Doping of Large-Area Trilayer MoS ₂ with Molecular Reductants and Oxidants Tarasov, Alexey; Zhang, Siyuan; Tsai, Meng-Yen Advanced Materials, Vol. 27, Issue 7 https://doi.org/10.1002/adma.201404578	journal	January 2015
Ultrasensitive photodetectors based on monolayer MoS2 Lopez-Sanchez, Oriol; Lembke, Dominik; Kayci, Metin Nature Nanotechnology, Vol. 8, Issue 7 https://doi.org/10.1038/nnano.2013.100	journal	June 2013
The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets Chhowalla, Manish; Shin, Hyeon Suk; Eda, Goki Nature Chemistry, Vol. 5, Issue 4, p. 263-275 https://doi.org/10.1038/nchem.1589	journal	April 2013
Band-gap engineering with HfS x Se 2 − x Gaiser, Christof; Zandt, Thorsten; Krapf, Alica Physical Review B, Vol. 69, Issue 7 https://doi.org/10.1103/PhysRevB.69.075205	journal	February 2004
Deformation potentials at the valence-band maximum in semiconductors Brey, L.; Christensen, N. E.; Cardona, M. Physical Review B, Vol. 36, Issue 5 https://doi.org/10.1103/PhysRevB.36.2638	journal	August 1987
Single-layer MoS₂ transistors Radisavljevic, B.; Radenovic, A.; Brivio, J. Nature Nanotechnology, Vol. 6, Issue 3, p. 147-150 https://doi.org/10.1038/nnano.2010.279	journal	January 2011
Structure of single-molecular-layer MoS 2 Yang, D.; Sandoval, S. Jiménez; Divigalpitiya, W. M. R. Physical Review B, Vol. 43, Issue 14 https://doi.org/10.1103/PhysRevB.43.12053	journal	May 1991
Hierarchical spin-orbital polarization of a giant Rashba system Bawden, Lewis; Riley, Jonathan M.; Kim, Choong H. Science Advances, Vol. 1, Issue 8 https://doi.org/10.1126/sciadv.1500495	journal	September 2015
Integrated Circuits and Logic Operations Based on Single-Layer MoS ₂ Radisavljevic, Branimir; Whitwick, Michael Brian; Kis, Andras ACS Nano, Vol. 5, Issue 12 https://doi.org/10.1021/nn203715c	journal	November 2011
Valley polarization in MoS2 monolayers by optical pumping Zeng, Hualing; Dai, Junfeng; Yao, Wang Nature Nanotechnology, Vol. 7, Issue 8 https://doi.org/10.1038/nnano.2012.95	journal	June 2012
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-58835-5	journal	February 2020
Strain modulated band gap of edge passivated armchair graphene nanoribbons Peng, Xihong; Velasquez, Selina arXiv https://doi.org/10.48550/arxiv.1102.0314	text	January 2011
Two dimensional semiconductors with possible high room temperature mobility Zhang, Wenxu; Huang, Zhishuo; Zhang, Wanli arXiv https://doi.org/10.48550/arxiv.1403.3872	text	January 2014
Optical detection of strain and doping inhomogenieties in single layer MoS2 Michail, Antonios; Delikoukos, Nick; Parthenios, John arXiv https://doi.org/10.48550/arxiv.1804.10127	text	January 2018

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Title: Direct observation of strain-induced orbital valence band splitting in HfSe2 by sodium intercalation

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