ﻻ يوجد ملخص باللغة العربية
Based on first-principle FLAPW-GGA calculations, we have investigated structural and electronic properties of the recently synthesized tetragonal (space group P4/nmm) nickel-based pnictide oxide superconductors: 3.3K (Ni2P2)(Sr4Sc2O6) and 2.7K (Ni2As2)(Sr4Sc2O6). Optimized structural data, electronic bands, total and partial densities of states, and Fermi surface topology have been obtained and discussed in comparison with available experiments and with their Fe-based (Fe2P2)(Sr4Sc2O6) and (Fe2As2)(Sr4Sc2O6) analogs.
Very recently, as an important step in the development of layered Fe-free pnictide-oxide superconductors, the new phase BaTi2Bi2O was discovered which has the highest TC (about 4.6 K) among all related non-doped systems. In this Letter, we report for
We have examined theoretically the electronic band structure and Fermi surface of tetragonal low-temperature superconductor Bi2Pd. Our main results are that (i) the Pd 4d and Bi 6p states determine the main peculiarities of the multiple-sheets FS top
It has long been a challenge to describe the origin of unconventional superconductivity. The two known examples with high Tc, based on iron and copper, have very different electronic structures, while other materials with similar electronic structure
By means of the first-principles calculations, we have studied in details the structural, elastic and electronic properties of the new tetragonal CaBe2Ge2-type 5.2K superconductor SrPt2As2 in comparison with two hypothetical SrPt2As2 polymorphs with
Very recently (November, 2010, PRB, 82, 180520R) the first 122-like ternary superconductor KxFe2Se2 with enhanced TC ~ 31K has been discovered. This finding has stimulated much activity in search of related materials and triggered the intense studies