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pro vyhledávání: '"S. Yu. Savrasov"'
Publikováno v:
Journal of Experimental and Theoretical Physics Letters. 80:548-551
Ab initio calculations of the superconducting properties have been performed for niobium carbide (NbC) at normal pressure and upon a 15 and 30% compression. Factors accounting for the relatively low values of the transition temperature T c in transit
Publikováno v:
ResearcherID
We calculate electron momentum densities of various crystalline solids by employing the linear-muffin-tin-orbital (LMTO) method. We use three levels of approximation to the LMTO: the simplest atomic sphere approximation (ASA), the ASA with overlap co
Autor:
S. Yu. Savrasov
Publikováno v:
International Journal of Modern Physics B. :197-202
Density functional linear response approach is developed in the framework of conventional band theory analysis. It is based on the variational solutions of one–electron Schroedinger equations in linear order. Due to incompleteness of the basis sets
Autor:
S. Yu. Savrasov
Publikováno v:
Physical Review Letters. 69:2819-2822
An all-electron formulation of density-functional linear-response theory is presented. It is based on representing the first-order corrections to the one-electron wave functions in terms of a muffin-tin basis set. This, for instance, makes ab initio
Autor:
S. Yu. Savrasov
Publikováno v:
Solid State Communications. 74:69-72
The density functional theory (DFT) is used to calculate the change in electronic charge density caused by a static external field with an arbitrary q-wavevector symmetry. This change is expressed through first order corrections to one-particle wave
Autor:
S. Yu. Savrasov, D.Yu. Savrasov
Publikováno v:
Physical review. B, Condensed matter. 46(19)
We present an efficient scheme for including full-potential terms in the linear-muffin-tin-orbital method. It is based on direct evaluation of the integrals in the interstitial region by partitioning crystalline space into atomic-cell envelopes and u
Publikováno v:
MRS Proceedings. 253
We review the interpretation of multiple-scattering theory in terms of muffin-tin orbitals. The use of slightly overlapping muffin-tin wells is justified rigorously. It is shown that the structure constants may be screened for a useful range of posit
Autor:
Vl. N. Antonov, V. V. Nemoshkalenko, E. G. Maximov, Yu. A. Uspenskii, V. N. Antonov, A. I. Baglyuk, A. Ya. Perlov, V. G. Bar'yakhtar, S. Yu. Savrasov
Publikováno v:
International Journal of Modern Physics B. :1053-1058
The theoretical investigation of the Fermi surface (FS) and constant-energy one near the Fermi energy of La 2−x Sr x CuO 4 and YBa 2 Cu 3 O 7 is the aim of this work.
Publikováno v:
Journal of Physics: Condensed Matter. 1:2493-2504
The authors analyse the self-energy operator of the Dyson equation in solids in comparison with the Kohn-Sham local potential of the density-functional theory (DFT). This allows the authors to explain why there is little difference between the DFT on
Publikováno v:
Scopus-Elsevier
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A full-potential linear muffin-tin orbital method (FP-LMTO) based linear-response approach is used to calculate the electron–phonon coupling in Nb under hydrostatic pressure. The superconducting transition temperature Tc is calculated using the Eli
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