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Title: Phase transition and electronic structure evolution of MoTe 2 induced by W substitution

We report that the transition-metal dichalcogenide compounds MoTe 2 and WTe 2 are polymorphic with both semiconducting and metallic phases. The thermodynamically stable phase of WTe 2 at room temperature is orthorhombic and metallic and displays a wide range of interesting phenomena including type-II Weyl fermions, titanic magnetoresistance and superconductivity in bulk, and quantum spin Hall insulator behavior in the monolayer case. On the other hand, the stable phase of MoTe 2 at room temperature is a trigonal prismatic semiconductor that has a direct gap in the monolayer with strong spin-orbit coupling. The alloy series Mo 1-xW xTe 2 thus offers the possibility for tuning the structural and, consequently, electronic phases via tuning of the composition. Here, we report comprehensive studies of the electronic structure of Mo 1-xW xTe 2 alloys using angle-resolved photoemission spectroscopy and first-principles calculations as a function of composition. At room temperature, we find a sharp boundary between the orthorhombic and the trigonal prismatic phases at x = 0.10 using structural characterization. Finally, we also show that by compositional tuning it is possible to control the band inversion in this series of compounds thus yielding important consequences for topological surface states.
Authors:
 [1] ;  [2] ;  [1] ;  [3] ;  [4] ;  [5] ;  [5] ;  [6] ;  [7] ;  [7] ;  [3] ;  [8] ;  [8] ;  [1] ;  [4] ;  [9] ;  [5] ;  [5] ;  [3] ;  [1] more »;  [6] ;  [1] ;  [1] « less
  1. Columbia Univ., New York, NY (United States)
  2. Fashion Institute of Technology, NY (United States)
  3. Chinese Academy of Sciences, Beijing (China). Beijing National Laboratory for Condensed Matter Physics, Institute of Physics
  4. Renmin University of China, Beijing (China). Department of Physics
  5. University of New Hampshire, Durham, NH (United States)
  6. Florida State Univ., Tallahassee, FL (United States)
  7. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
  8. SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)
  9. Queen's University Belfast (United Kingdom). School of Mathematics and Physics
Publication Date:
Report Number(s):
BNL-209425-2018-JAAM
Journal ID: ISSN 2469-9950; PRBMDO
Grant/Contract Number:
SC0012704; FG02-04ER46157; SC0016424; AC02-76SF00515
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 98; Journal Issue: 14; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1481403
Alternate Identifier(s):
OSTI ID: 1480160

Jin, Wencan, Schiros, Theanne, Lin, Yi, Ma, Junzhang, Lou, Rui, Dai, Zhongwei, Yu, Jie-Xiang, Rhodes, Daniel, Sadowski, Jerzy T., Tong, Xiao, Qian, Tian, Hashimoto, Makoto, Lu, Donghui, Dadap, Jerry I., Wang, Shancai, Santos, Elton J. G., Zang, Jiadong, Pohl, Karsten, Ding, Hong, Hone, James, Balicas, Luis, Pasupathy, Abhay N., and Osgood, Richard M.. Phase transition and electronic structure evolution of MoTe2 induced by W substitution. United States: N. p., Web. doi:10.1103/PhysRevB.98.144114.
Jin, Wencan, Schiros, Theanne, Lin, Yi, Ma, Junzhang, Lou, Rui, Dai, Zhongwei, Yu, Jie-Xiang, Rhodes, Daniel, Sadowski, Jerzy T., Tong, Xiao, Qian, Tian, Hashimoto, Makoto, Lu, Donghui, Dadap, Jerry I., Wang, Shancai, Santos, Elton J. G., Zang, Jiadong, Pohl, Karsten, Ding, Hong, Hone, James, Balicas, Luis, Pasupathy, Abhay N., & Osgood, Richard M.. Phase transition and electronic structure evolution of MoTe2 induced by W substitution. United States. doi:10.1103/PhysRevB.98.144114.
Jin, Wencan, Schiros, Theanne, Lin, Yi, Ma, Junzhang, Lou, Rui, Dai, Zhongwei, Yu, Jie-Xiang, Rhodes, Daniel, Sadowski, Jerzy T., Tong, Xiao, Qian, Tian, Hashimoto, Makoto, Lu, Donghui, Dadap, Jerry I., Wang, Shancai, Santos, Elton J. G., Zang, Jiadong, Pohl, Karsten, Ding, Hong, Hone, James, Balicas, Luis, Pasupathy, Abhay N., and Osgood, Richard M.. 2018. "Phase transition and electronic structure evolution of MoTe2 induced by W substitution". United States. doi:10.1103/PhysRevB.98.144114.
@article{osti_1481403,
title = {Phase transition and electronic structure evolution of MoTe2 induced by W substitution},
author = {Jin, Wencan and Schiros, Theanne and Lin, Yi and Ma, Junzhang and Lou, Rui and Dai, Zhongwei and Yu, Jie-Xiang and Rhodes, Daniel and Sadowski, Jerzy T. and Tong, Xiao and Qian, Tian and Hashimoto, Makoto and Lu, Donghui and Dadap, Jerry I. and Wang, Shancai and Santos, Elton J. G. and Zang, Jiadong and Pohl, Karsten and Ding, Hong and Hone, James and Balicas, Luis and Pasupathy, Abhay N. and Osgood, Richard M.},
abstractNote = {We report that the transition-metal dichalcogenide compounds MoTe2 and WTe2 are polymorphic with both semiconducting and metallic phases. The thermodynamically stable phase of WTe2 at room temperature is orthorhombic and metallic and displays a wide range of interesting phenomena including type-II Weyl fermions, titanic magnetoresistance and superconductivity in bulk, and quantum spin Hall insulator behavior in the monolayer case. On the other hand, the stable phase of MoTe2 at room temperature is a trigonal prismatic semiconductor that has a direct gap in the monolayer with strong spin-orbit coupling. The alloy series Mo1-xWxTe2 thus offers the possibility for tuning the structural and, consequently, electronic phases via tuning of the composition. Here, we report comprehensive studies of the electronic structure of Mo1-xWxTe2 alloys using angle-resolved photoemission spectroscopy and first-principles calculations as a function of composition. At room temperature, we find a sharp boundary between the orthorhombic and the trigonal prismatic phases at x = 0.10 using structural characterization. Finally, we also show that by compositional tuning it is possible to control the band inversion in this series of compounds thus yielding important consequences for topological surface states.},
doi = {10.1103/PhysRevB.98.144114},
journal = {Physical Review B},
number = 14,
volume = 98,
place = {United States},
year = {2018},
month = {10}
}

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