Structurally induced semimetal-to-semiconductor transition in 1T-TiSe2

Alex Zunger, Arthur J Freeman

Research output: Contribution to journal › Article

23 Citations (Scopus)

Abstract

We show that observed changes in the nature of the conducting state of 1T-TiSe2 in going from the normal semimetallic state to the charge-density-wave semiconducting state can be successfully modeled by variation of a single structural parameter, z, which modulates the Ti-Se bond length. These ab initio band-structure results lead to a number of interesting experimental consequences.

Original languageEnglish
Pages (from-to)1155-1158
Number of pages4
JournalPhysical Review Letters
Volume40
Issue number17
DOIs
Publication statusPublished - 1978

Fingerprint

metalloids
conduction

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Structurally induced semimetal-to-semiconductor transition in 1T-TiSe2. / Zunger, Alex; Freeman, Arthur J.

In: Physical Review Letters, Vol. 40, No. 17, 1978, p. 1155-1158.

Research output: Contribution to journal › Article

Zunger, A & Freeman, AJ 1978, 'Structurally induced semimetal-to-semiconductor transition in 1T-TiSe2', Physical Review Letters, vol. 40, no. 17, pp. 1155-1158. https://doi.org/10.1103/PhysRevLett.40.1155
Zunger A, Freeman AJ. Structurally induced semimetal-to-semiconductor transition in 1T-TiSe2. Physical Review Letters. 1978;40(17):1155-1158. https://doi.org/10.1103/PhysRevLett.40.1155
Zunger, Alex ; Freeman, Arthur J. / Structurally induced semimetal-to-semiconductor transition in 1T-TiSe2. In: Physical Review Letters. 1978 ; Vol. 40, No. 17. pp. 1155-1158.
@article{8c965994c8c543b0986a0a89d12f0992,
title = "Structurally induced semimetal-to-semiconductor transition in 1T-TiSe2",
abstract = "We show that observed changes in the nature of the conducting state of 1T-TiSe2 in going from the normal semimetallic state to the charge-density-wave semiconducting state can be successfully modeled by variation of a single structural parameter, z, which modulates the Ti-Se bond length. These ab initio band-structure results lead to a number of interesting experimental consequences.",
author = "Alex Zunger and Freeman, {Arthur J}",
year = "1978",
doi = "10.1103/PhysRevLett.40.1155",
language = "English",
volume = "40",
pages = "1155--1158",
journal = "Physical Review Letters",
issn = "0031-9007",
publisher = "American Physical Society",
number = "17",

}

TY - JOUR

T1 - Structurally induced semimetal-to-semiconductor transition in 1T-TiSe2

AU - Zunger, Alex

AU - Freeman, Arthur J

PY - 1978

Y1 - 1978

N2 - We show that observed changes in the nature of the conducting state of 1T-TiSe2 in going from the normal semimetallic state to the charge-density-wave semiconducting state can be successfully modeled by variation of a single structural parameter, z, which modulates the Ti-Se bond length. These ab initio band-structure results lead to a number of interesting experimental consequences.

AB - We show that observed changes in the nature of the conducting state of 1T-TiSe2 in going from the normal semimetallic state to the charge-density-wave semiconducting state can be successfully modeled by variation of a single structural parameter, z, which modulates the Ti-Se bond length. These ab initio band-structure results lead to a number of interesting experimental consequences.

UR - http://www.scopus.com/inward/record.url?scp=26544463749&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=26544463749&partnerID=8YFLogxK

U2 - 10.1103/PhysRevLett.40.1155

DO - 10.1103/PhysRevLett.40.1155

M3 - Article

VL - 40

SP - 1155

EP - 1158

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 17

ER -

Access to Document