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Title: Metal-insulator transition in quasi-one-dimensional HfTe 3 in the few-chain limit

Abstract

The quasi-one-dimensional linear chain compound HfTe 3 is experimentally and theoretically explored in the few- to single-chain limit. Confining the material within the hollow core of carbon nanotubes allows isolation of the chains and prevents the rapid oxidation which plagues even bulk HfTe 3. High-resolution transmission electron microscopy coupled with density functional theory calculations reveals that, once the triple-chain limit is reached, the normally parallel chains spiral about each other, and simultaneously a short-wavelength trigonal anti-prismatic rocking distortion occurs that opens a significant energy gap. This ends in a size-driven metal-insulator transition.

Authors:
 [1];  [1];  [1];  [2];  [2];  [1];  [1]
  1. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. The Molecular Foundry, Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division
OSTI Identifier:
1503672
Alternate Identifier(s):
OSTI ID: 1546425
Grant/Contract Number:  
AC02-05CH11231; AC02-05-CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 100; Journal Issue: 4; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Meyer, Scott, Pham, Thang, Oh, Sehoon, Ercius, Peter, Kisielowski, Christian, Cohen, Marvin L., and Zettl, Alex. Metal-insulator transition in quasi-one-dimensional HfTe3 in the few-chain limit. United States: N. p., 2019. Web. doi:10.1103/PhysRevB.100.041403.
Meyer, Scott, Pham, Thang, Oh, Sehoon, Ercius, Peter, Kisielowski, Christian, Cohen, Marvin L., & Zettl, Alex. Metal-insulator transition in quasi-one-dimensional HfTe3 in the few-chain limit. United States. doi:10.1103/PhysRevB.100.041403.
Meyer, Scott, Pham, Thang, Oh, Sehoon, Ercius, Peter, Kisielowski, Christian, Cohen, Marvin L., and Zettl, Alex. Tue . "Metal-insulator transition in quasi-one-dimensional HfTe3 in the few-chain limit". United States. doi:10.1103/PhysRevB.100.041403.
@article{osti_1503672,
title = {Metal-insulator transition in quasi-one-dimensional HfTe3 in the few-chain limit},
author = {Meyer, Scott and Pham, Thang and Oh, Sehoon and Ercius, Peter and Kisielowski, Christian and Cohen, Marvin L. and Zettl, Alex},
abstractNote = {The quasi-one-dimensional linear chain compound HfTe3 is experimentally and theoretically explored in the few- to single-chain limit. Confining the material within the hollow core of carbon nanotubes allows isolation of the chains and prevents the rapid oxidation which plagues even bulk HfTe3. High-resolution transmission electron microscopy coupled with density functional theory calculations reveals that, once the triple-chain limit is reached, the normally parallel chains spiral about each other, and simultaneously a short-wavelength trigonal anti-prismatic rocking distortion occurs that opens a significant energy gap. This ends in a size-driven metal-insulator transition.},
doi = {10.1103/PhysRevB.100.041403},
journal = {Physical Review B},
number = 4,
volume = 100,
place = {United States},
year = {2019},
month = {7}
}

Journal Article:
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Works referenced in this record:

Van der Waals heterostructures
journal, July 2013

  • Geim, A. K.; Grigorieva, I. V.
  • Nature, Vol. 499, Issue 7459, p. 419-425
  • DOI: 10.1038/nature12385

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
  • DOI: 10.1103/PhysRevLett.77.3865

Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006

  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495