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

doi:10.1103/PhysRevB.100.041403

This content will become publicly available on July 9, 2020

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:

Meyer, Scott ^[1]; Pham, Thang ^[1]; Oh, Sehoon ^[1]; Ercius, Peter ^[2]; Kisielowski, Christian ^[2]; Cohen, Marvin L. ^[1]; Zettl, Alex ^[1]

Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
The Molecular Foundry, Berkeley, CA (United States)

Publication Date:: 2019-07-09

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.

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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.  doi: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.  doi:10.1103/PhysRevB.100.041403.

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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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DOI: 10.1103/PhysRevB.100.041403

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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
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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

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Similar Records

This content will become publicly available on July 9, 2020

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

Abstract

Citation Formats

Van der Waals heterostructures journal, July 2013

Generalized Gradient Approximation Made Simple journal, October 1996

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

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

Van der Waals heterostructures
journal, July 2013

Generalized Gradient Approximation Made Simple
journal, October 1996

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