Autor:	Chi-Wei Ou Lee, 歐李啟維
Rok vydání:	2008
Druh dokumentu:	學位論文 ; thesis
Popis:	96 In this thesis, we investigated the electronic structures and magnetic properties of doped perovskite magnanites, YMn1-xMExO3 (ME=Co, Ni, Cu), by means of density functional method within a spin-polarized local density approximation + Hubbard U (LSDA+U). First of all, the effect of parameter U on the magnetic ordering in hexagonal YMnO3 has been studied. Meanwhile, a mixed valent Mn3+-Mn4+ in all three moderated doped magnanites (x=0.25) has revealed from our calculated electronic density of states. Furthermore, different dopant-induced orbital orderings corresponding to various YME0.25Mn0.75O3 were found in our calculations.
Databáze:	Networked Digital Library of Theses & Dissertations
Externí odkaz:	http://ndltd.ncl.edu.tw/handle/27727088622108257315 Zobrazit plný text záznamu