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

Alex Zunger; A. J. Freeman

doi:10.1103/PhysRevLett.40.1155

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

Alex Zunger, A. J. Freeman

Northwestern University

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	1155-1158
Number of pages	4
Journal	Physical review letters
Volume	40
Issue number	17
DOIs	https://doi.org/10.1103/PhysRevLett.40.1155
Publication status	Published - 1978

ASJC Scopus subject areas

Physics and Astronomy(all)

Access to Document

10.1103/PhysRevLett.40.1155

Fingerprint Dive into the research topics of 'Structurally induced semimetal-to-semiconductor transition in 1T-TiSe2'. Together they form a unique fingerprint.

Cite this

@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, {A. 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, A. 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

AN - SCOPUS:26544463749

VL - 40

SP - 1155

EP - 1158

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 17

ER -