Autor:	Syrotyuk, S. V., Shved, V. M.
Rok vydání:	2013
Předmět:	Condensed Matter - Materials Science
Zdroj:	Condens. Matter Phys., 2013, vol. 16, No. 1, 13701:1-8
Druh dokumentu:	Working Paper
DOI:	10.5488/CMP.16.13701
Popis:	The spin-resolved electronic energy band spectra, as well as partial and total density of electronic states of the crystal AlN, doped with Cr, Mn and Fe, have been evaluated within the projector augmented waves (PAW) approach by means of the ABINIT code. The Hartree-Fock exchange for correlated electrons is used to describe the correlated orbitals in the PAW framework. The calculated one-electron energies for electrons of spin up and down are very different. We have found that all the considered crystals are ferromagnetic. Comment: 8 pages, 12 figures
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1303.5544 Zobrazit plný text záznamu View this record from Arxiv