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Title: Charge density wave transition in single-layer titanium diselenide

Abstract

© 2015 Macmillan Publishers Limited. All rights reserved. A single molecular layer of titanium diselenide (TiSe 2 ) is a promising material for advanced electronics beyond graphene - a strong focus of current research. Such molecular layers are at the quantum limit of device miniaturization and can show enhanced electronic effects not realizable in thick films. We show that single-layer TiSe 2 exhibits a charge density wave (CDW) transition at critical temperature T C =232±5 K, which is higher than the bulk T C =200±5 K. Angle-resolved photoemission spectroscopy measurements reveal a small absolute bandgap at room temperature, which grows wider with decreasing temperature T below T C in conjunction with the emergence of (2 × 2) ordering. The results are rationalized in terms of first-principles calculations, symmetry breaking and phonon entropy effects. The observed Bardeen-Cooper-Schrieffer (BCS) behaviour of the gap implies a mean-field CDW order in the single layer and an anisotropic CDW order in the bulk.

Authors:
 [1];  [2];  [3]; ORCiD logo [4];  [5]; ORCiD logo [6];  [6];  [6];  [7]
  1. Univ. of Illinois, Urbana-Champaign, IL (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Academia Sinica, Taipei (Taiwan)
  3. Univ. of Illinois, Urbana-Champaign, IL (United States)
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Nanjing Univ. (China); SLAC National Accelerator Lab., Menlo Park, CA (United States)
  5. Academia Sinica, Taipei (Taiwan); Georgia Inst. of Technology, Atlanta, GA (United States); National Taiwan Univ., Taipei (Taiwan)
  6. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  7. Univ. of Illinois, Urbana-Champaign, IL (United States); National Taiwan Univ., Taipei (Taiwan)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1237589
Alternate Identifier(s):
OSTI ID: 1378649
Grant/Contract Number:  
AC03-76SF00515; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 6; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; physical sciences; condensed matter

Citation Formats

Chen, P., Chan, Y. -H., Fang, X. -Y., Zhang, Y., Chou, M. Y., Mo, S. -K., Hussain, Z., Fedorov, A. -V., and Chiang, T. -C. Charge density wave transition in single-layer titanium diselenide. United States: N. p., 2015. Web. doi:10.1038/ncomms9943.
Chen, P., Chan, Y. -H., Fang, X. -Y., Zhang, Y., Chou, M. Y., Mo, S. -K., Hussain, Z., Fedorov, A. -V., & Chiang, T. -C. Charge density wave transition in single-layer titanium diselenide. United States. doi:10.1038/ncomms9943.
Chen, P., Chan, Y. -H., Fang, X. -Y., Zhang, Y., Chou, M. Y., Mo, S. -K., Hussain, Z., Fedorov, A. -V., and Chiang, T. -C. Mon . "Charge density wave transition in single-layer titanium diselenide". United States. doi:10.1038/ncomms9943. https://www.osti.gov/servlets/purl/1237589.
@article{osti_1237589,
title = {Charge density wave transition in single-layer titanium diselenide},
author = {Chen, P. and Chan, Y. -H. and Fang, X. -Y. and Zhang, Y. and Chou, M. Y. and Mo, S. -K. and Hussain, Z. and Fedorov, A. -V. and Chiang, T. -C.},
abstractNote = {© 2015 Macmillan Publishers Limited. All rights reserved. A single molecular layer of titanium diselenide (TiSe 2 ) is a promising material for advanced electronics beyond graphene - a strong focus of current research. Such molecular layers are at the quantum limit of device miniaturization and can show enhanced electronic effects not realizable in thick films. We show that single-layer TiSe 2 exhibits a charge density wave (CDW) transition at critical temperature T C =232±5 K, which is higher than the bulk T C =200±5 K. Angle-resolved photoemission spectroscopy measurements reveal a small absolute bandgap at room temperature, which grows wider with decreasing temperature T below T C in conjunction with the emergence of (2 × 2) ordering. The results are rationalized in terms of first-principles calculations, symmetry breaking and phonon entropy effects. The observed Bardeen-Cooper-Schrieffer (BCS) behaviour of the gap implies a mean-field CDW order in the single layer and an anisotropic CDW order in the bulk.},
doi = {10.1038/ncomms9943},
journal = {Nature Communications},
number = ,
volume = 6,
place = {United States},
year = {2015},
month = {11}
}

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