Narrow-band anisotropic electronic structure of ReS2

被引:45
作者
Biswas, D. [1 ]
Ganose, Alex M. [2 ,3 ]
Yano, R. [4 ]
Riley, J. M. [1 ,3 ]
Bawden, L. [1 ]
Clark, O. J. [1 ]
Feng, J. [1 ]
Collins-Mcintyre, L. [1 ]
Sajjad, M. T. [5 ]
Meevasana, W. [6 ,7 ]
Kim, T. K. [3 ]
Hoesch, M. [3 ]
Rault, J. E. [8 ]
Sasagawa, T. [4 ]
Scanlon, David O. [2 ,3 ]
King, P. D. C. [1 ]
机构
[1] Univ St Andrews, Sch Phys & Astron, SUPA, St Andrews KY16 9SS, Fife, Scotland
[2] UCL, Dept Chem, 20 Gordon St, London WC1H 0AJ, England
[3] Diamond Light Source, Harwell Campus, Didcot OX11 0DE, Oxon, England
[4] Tokyo Inst Technol, Mat & Struct Lab, Yokohama, Kanagawa 2268503, Japan
[5] Univ St Andrews, Sch Phys & Astron, Organ Semicond Ctr, SUPA, St Andrews KY16 9SS, Fife, Scotland
[6] Suranaree Univ Technol, Sch Phys, Nakhon Ratchasima 30000, Thailand
[7] Suranaree Univ Technol, Ctr Excellence Adv Funct Mat, Nakhon Ratchasima 30000, Thailand
[8] CEA, CNRS, LOrme Merisiers, Synchrotron SOLEIL, St Aubin BP48, F-91192 Gif Sur Yvette, France
基金
英国工程与自然科学研究理事会; 日本科学技术振兴机构; 日本学术振兴会;
关键词
INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; TRANSITION; SEMICONDUCTORS; COORDINATION; PARAMETERS; EXCITONS;
D O I
10.1103/PhysRevB.96.085205
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We have used angle-resolved photoemission spectroscopy to investigate the band structure of ReS2, a transitionmetal dichalcogenide semiconductor with a distorted 1T crystal structure. We find a large number of narrow valence bands, which we attribute to the combined influence of structural distortion and spin-orbit coupling. We further show how this leads to a strong in-plane anisotropy of the electronic structure, with quasi-one-dimensional bands reflecting predominant hopping along zigzag Re chains. We find that this does not persist up to the top of the valence band, where a more three-dimensional character is recovered with the fundamental band gap located away from the Brillouin zone center along k(z). These experiments are in good agreement with our density-functional theory calculations, shedding light on the bulk electronic structure of ReS2, and how it can be expected to evolve when thinned to a single layer.
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页数:7
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