物理学报2012，Vol.61Issue(24)：451-456,6.
碳掺杂BaTiO3的电子结构和磁性研究
Electronic structure and magnetic properties in C-doped BaTiO3: A first-principles calculations
摘要
Abstract
Based on density functional theory calculations, the electronic structure and magnetic properties of C-doped BaTiO3 are inves- tigated. It is found that the BaTiOa doped by a nonmagnetic 2p light element (C) is ferromagnetic. The local magnetic moment is mainly localized on doped C atoms for Csub, while ferromagnetism in Cins comes from precipitation of magnetic ions Ti3+. Our re- sults indicate that the proposed C-doped BaTiO3 is a potential candidate for dilute magnetic semiconductor material and multiferroics material.关键词
第一性原理/电子结构/磁学性质Key words
first-principles calculation/electronic structure/magnetic properties分类
化学化工引用本文复制引用
谭兴毅,陈长乐,金克新,高雁军..碳掺杂BaTiO3的电子结构和磁性研究[J].物理学报,2012,61(24):451-456,6.基金项目
国家自然科学基金（批准号：61078057,51172183）、湖北民族学院博士人才基金、湖北民族学院博士科研启动基金资助的课题. （）
