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Calculations of the electric field gradient in hcp metals using the full-potential linear-muffin-tin orbital method
(Solid State Phenomena, 1998)
In this paper we suggest a new scheme for obtaining the electronic contribution to the electric field gradient (EFG) at the nucleus. The EFG for all hcp metals from Be to Cd is obtained from band structure calculations ...
Hf2Ni compound investigation: Electronic structure and electric field gradient
(Solid State Phenomena, 1998)
The electronic structure of the Hf2Ni intermetallic compound has been obtained using the first-principle full-potential (FP) linear-muffin- tin-orbital (LMTO) method in the atomic-sphere approximation (ASA). The electric ...
The electronic structure of SrCuO2 in orthorhombic phase
(Solid State Phenomena, 1998)
The band structure for one-lag ladder compound SrCuO2 has been studied by the local spin density approximation (LSDA) and with Coulomb correlations effects included (LDA+U method). The solution with an extremely small band ...
Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3
(Solid State Phenomena, 1998)
The generalization of the local(-spin)-density-approximation (L(S)DA) method for the systems with strong Coulomb correlations has been applied for the calcualtion of the electronic structure for the cuprate CuGeO3. The ...