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.
UR - http://www.scopus.com/inward/record.url?scp=0001469856&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0001469856&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.17.1839
DO - 10.1103/PhysRevB.17.1839
M3 - Article
AN - SCOPUS:0001469856
VL - 17
SP - 1839
EP - 1842
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 4
ER -