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 |
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ASJC Scopus subject areas
- Condensed Matter Physics
Cite this
Band structure and lattice instability of TiSe2. / Zunger, Alex; Freeman, Arthur J.
In: Physical Review B, Vol. 17, No. 4, 1978, p. 1839-1842.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Band structure and lattice instability of TiSe2
AU - Zunger, Alex
AU - Freeman, Arthur J
PY - 1978
Y1 - 1978
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.17.1839
DO - 10.1103/PhysRevB.17.1839
M3 - Article
VL - 17
SP - 1839
EP - 1842
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 4
ER -