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

Alex Zunger; Arthur J Freeman

doi:10.1103/PhysRevLett.40.1155

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

Alex Zunger, Arthur J Freeman

Northwestern University

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 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

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ASJC Scopus subject areas

Physics and Astronomy(all)

Cite this

Zunger, A., & Freeman, A. J. (1978). Structurally induced semimetal-to-semiconductor transition in 1T-TiSe2. Physical Review Letters, 40(17), 1155-1158. https://doi.org/10.1103/PhysRevLett.40.1155

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Access to Document

10.1103/PhysRevLett.40.1155