نتایج جستجو برای: kkr
تعداد نتایج: 154 فیلتر نتایج به سال:
The close-packed AB$_2$ structures called Laves phases constitute the largest group of intermetallic compounds. In this paper we computationally investigated pseudo-binary phase system Y$_{1-x}$Gd$_x$(Fe$_{1-y}$Co$_y$)$_2$ spanning between YFe$_2$, YCo$_2$, GdFe$_2$, and GdCo$_2$ vertices. While vast majority diagram is ferrimagnetic phase, YCo$_2$ along with a narrow range concentrations aroun...
This study aimed to determine phylogenetic relationship between and among selected species of sea cucumbers (Echinodermata: Holothuroidea) using 16S mitochondrial ribosomal RNA (rRNA) gene. Phylogenetic analyses of 37 partial sequences of 16S mitochondrial rRNA gene using three main methods namely neighbour joining (NJ), maximum parsimony (MP) and maximum likelihood (ML) showed the presence of ...
Spin-dependent scattering is considered to be the origin of giant magnetoresistance in magnetic multilayers, although the role of bulk or interface defects is still under discussion. We present calculations of spin-dependent impurity scattering potentials as a function of the impurity position in a Co/Cu-multilayer. The calculations are performed within spin density functional theory using a Gr...
The performance of permanent magnets YCo5 can be improved by replacing cobalt with other elements, such as iron, copper, and nickel. In order to determine its optimum composition, it is necessary perform systematic theoretical calculations in a consistent framework. this study, we calculated the magnetocrystalline anisotropy constant Ku Y(Co1−x−yFexCuy)3(Co1−zNiz)2 on basis full-potential Korri...
The electronic density of states on Cu and Pd sites in Cu-Pd substitutlonal alloys has been investigated by soft x-ray emission spectroscopy and SCF-KKRCPA calculations. The results indicate that Cu-Pd can be described as a common band alloy with no Pd virtual bound state. Possible origins for the larger theoretical Pd bandwidth with respect to the experimental one are discussed. In a recent pa...
The ex is tence o f a pseudo~ap i n the densi ty o f s ta tes o f expanded l i q u i d mercury i s asc e r t a i ned from f i r s t p r i n c i p l e s . The d ispers ion of expanded f l u i d mercury i s ca lcu la ted both by the r e l a t i v i s t i c KKR ~ e t h o d f o r a m u f f i n t i n system and by an extended Hiickel model. The theory due t o M a t t i s and Yonezawa concerning anon...
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