Autor:	Ferreira, Luiz G.
Rok vydání:	2015
Předmět:	Condensed Matter - Materials Science
Druh dokumentu:	Working Paper
Popis:	We use the many techniques of alloy theory to study antiferromagnetic NiO, considered as an alloy of spin-up and spin-down Ni atoms. The questions are: the true antiferromagnetic ground state and the possibility of obtaining ferrimagnetic configurations. Further we use the GGA/LDA- 1/2 technique to investigate the electronic excitation spectrum. We found two valence bands and band gaps, of 4.0eV consistent with bremsstrahlung-isochromat-spectroscopy (BIS) result, and 1.2eV consistent with the known 10Dq value for the Ni++ ion. The features of a Mott insulator are presented without recurring to an electron-pair correlation. Comment: 13 pages and 10 figures
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1506.05778 Zobrazit plný text záznamu View this record from Arxiv