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Title: Metal-insulator transition in quasi-one-dimensional HfTe3 in the few-chain limit

Abstract

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.

Authors:
 [1];  [1];  [1];  [2];  [2];  [1];  [1]
+ Show Author Affiliations
  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). 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. https://doi.org/10.1103/PhysRevB.100.041403.
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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. https://doi.org/10.1103/PhysRevB.100.041403
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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. https://doi.org/10.1103/PhysRevB.100.041403. https://www.osti.gov/servlets/purl/1503672.
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@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}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.100.041403
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Works referenced in this record:

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

Self-consistent treatment of spin-orbit coupling in solids using relativistic fully separable ab initio pseudopotentials
journal, July 2001

Efficacious Form for Model Pseudopotentials
journal, May 1982

Coexistence of superconductivity and charge-density wave in the quasi-one-dimensional material HfTe3
journal, March 2017

  • Denholme, Saleem J.; Yukawa, Akinori; Tsumura, Kohei
  • Scientific Reports, Vol. 7, Issue 1
  • DOI: 10.1038/srep45217

Preparation, structure and properties of transition metal trichalcogenides
journal, January 1992

  • Srivastava, S. K.; Avasthi, B. N.
  • Journal of Materials Science, Vol. 27, Issue 14
  • DOI: 10.1007/BF00545445

Relativistic norm-conserving pseudopotential
journal, March 1980

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

Self-consistent pseudopotential method for localized configurations: Molecules
journal, December 1975

  • Cohen, Marvin L.; Schlüter, M.; Chelikowsky, James R.
  • Physical Review B, Vol. 12, Issue 12
  • DOI: 10.1103/PhysRevB.12.5575

Torsional instability in the single-chain limit of a transition metal trichalcogenide
journal, July 2018

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

The SIESTA method for ab initio order- N materials simulation
journal, March 2002

  • Soler, José M.; Artacho, Emilio; Gale, Julian D.
  • Journal of Physics: Condensed Matter, Vol. 14, Issue 11
  • DOI: 10.1088/0953-8984/14/11/302

The Non-metal Rich Region of the Hf-Te System.
journal, January 1971

On the Properties of Compounds with the ZrSe3 Type Structure.
journal, January 1972

Group IVB transition metal trichalcogenides: a new class of 2D layered materials beyond graphene: Group IVB transition metal trichalcogenides
journal, January 2016

  • Dai, Jun; Li, Ming; Zeng, Xiao Cheng
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 6, Issue 2
  • DOI: 10.1002/wcms.1243

Anisotropic multichain nature and filamentary superconductivity in the charge density wave system HfTe 3
journal, November 2017

Efficient pseudopotentials for plane-wave calculations
journal, January 1991

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    Works referencing / citing this record:

    Electrically Driven Dynamics of Few‐Chain NbSe 3
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