We present ab ~nztw pseudopotential calculations, within the local denmty approxmmtlon, for sto~dHometric high-T~ copper oxide YBa.~CuaO7 and newly synthesmed mtermetallic compounds Lu(N~B)2(' ' ] F Z G3 G4 Z band structure of Science and Technology, the '94 Basic Science Research Program of the Min
Electronic structure calculations for oxocuprate clusters of the high-Tc superconducting phases
β Scribed by H. Eschrig; G. Seifert
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 329 KB
- Volume
- 64
- Category
- Article
- ISSN
- 0038-1098
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π SIMILAR VOLUMES
Total energy local density determinations of the effects of pressure on the (Srt\_xCax h\_yCuO2 infinite layer (IL) Tc ffi 110 K superconductor show, that the compressibility is highly anisotropic. Surprisingly , the energy location of the van Hove singularity (vHs) moves towards EF with pressure, t
The X~U-SW-VB model has been applied to compute the singlet-triplet separation in the model complex [ (OH),Cu(p-0 )Cu( OH),] 6-whose geometric and bonding parameters were fixed at the values observed in the crystal strncture of YBaZCu#\_v. The calculations show that a strong antiferromagnetic inter