Abstract
The energy band structure of TiSe2, determined in the local-density approach yields a semimetal (band overlap 0.20 0.05 eV) with holes at and electron pockets only at L. The dimensions of the electron pocket indicate the presence of (7-8) × 1020 carriers/cm3 in excellent agreement with both transport and angular-resolved photoemission data. The observed charge-density wave is attributed to characteristic "volume" effects, i.e., nesting of parallel electron-hole bands at EF separated by the -L zone-boundary wave vector.
| Original language | English |
|---|---|
| Pages (from-to) | 1839-1842 |
| Number of pages | 4 |
| Journal | Physical Review B |
| Volume | 17 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 1978 |
ASJC Scopus subject areas
- Condensed Matter Physics
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Zunger, A., & Freeman, A. J. (1978). Band structure and lattice instability of TiSe2. Physical Review B, 17(4), 1839-1842. https://doi.org/10.1103/PhysRevB.17.1839