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 | |
| Publication status | Published - 1978 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
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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