期刊
PHYSICAL REVIEW B
卷 80, 期 3, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.035116
关键词
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资金
- KOSEF/MEST [2009-0079947]
We have investigated the Fermi surface (FS) and electronic structure of delafossite PdCoO2. We have explored the dependence of electronic structure on the surface termination, considering both CoO2- and Pd-terminated PdCoO2 slabs. Two FS features are obtained, one larger FS from the Pd-related bulk states and the other smaller one from surface states. The bulk FS is produced mainly by the Pd 4d(3z2-r2)-Pd 5s-hybridized state, Psi(d-s), which is responsible for the high in-plane conductivity in PdCoO2. The surface FS observed in angle-resolved photoemission spectroscopy is found to be produced by the hybridized Co t(2g)-O 2p surface states for the CoO2- terminated PdCoO2. Due to the localized nature of the surface states, consideration of the spin-orbit and exchange interactions is essential to describe surface electronic structures near E-F correctly.
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