Electronic and elastic properties of new nitrogen-containing perovskite-like superconductor ZnNNi3

Autor:	Shein, I. R., Bannikov, V. V., Ivanovskii, A. L.
Rok vydání:	2008
Předmět:	Condensed Matter - Superconductivity Condensed Matter - Materials Science
Druh dokumentu:	Working Paper
Popis:	Full-potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) for the exchange-correlation potential has been applied for the study of structural, elastic and electronic properties of the newly synthesized nitrogen-containing perovskite-like superconductor ZnNNi3. The optimized lattice parameter, independent elastic constants (C11, C12 and C44), bulk modulus B, compressibility betta, and shear modulus G are evaluated. The band structure, total and site- projected l- decomposed DOSs, the shape of the Fermi surface, the Sommerfeld coefficient and the molar Pauli paramagnetic susceptibility for this novel anti-perovskite are obtained and analyzed in comparison with related anti-perovskites ZnCNi3 and MgCNi3 Comment: 9 pages, 3 figures, 2 tables
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/0811.4249 Zobrazit plný text záznamu View this record from Arxiv