TY - JOUR
T1 - LSD Calculation of Electronic Structure of High Tc Superconductor
T2 - La–Sr–Cu–O Systems
AU - Siraishi, Kenji
AU - Oshiyama, Atsushi
AU - Shima, Nobuyuki
AU - Nakayama, Takashi
AU - Saito, Riichiro
AU - Kamimura, Hiroshi
PY - 1987/1
Y1 - 1987/1
N2 - Spin-polarized band structures of high Tc La–Sr–Cu–O compounds are first calculated by a self-consistent nonlocal pseudopotential method in the local spin density (LSD) functional formalism where the basis set is expanded in terms of gaussian orbitals. The calculated results show that a spin polarization occurs in this system. The obtained difference of the total numbers of the upper and lower spins in this calculation is 0.4. This result suggests that the electron-electron interactions in the conduction bands are important for high Tc superconductivity, but no so strong compared with the concept of the ordinary Hubbard model.
AB - Spin-polarized band structures of high Tc La–Sr–Cu–O compounds are first calculated by a self-consistent nonlocal pseudopotential method in the local spin density (LSD) functional formalism where the basis set is expanded in terms of gaussian orbitals. The calculated results show that a spin polarization occurs in this system. The obtained difference of the total numbers of the upper and lower spins in this calculation is 0.4. This result suggests that the electron-electron interactions in the conduction bands are important for high Tc superconductivity, but no so strong compared with the concept of the ordinary Hubbard model.
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U2 - 10.7567/JJAPS.26S3.983
DO - 10.7567/JJAPS.26S3.983
M3 - Article
AN - SCOPUS:84956111290
VL - 26
SP - 983
EP - 984
JO - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
JF - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
SN - 0021-4922
IS - S3-2
ER -