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N掺杂钛酸盐的电子结构和磁性研究

ISSN号：1000-3290
期刊名称：Acta Physica Sinica
时间：2011
页码：458-464
分类：O613.71[理学—无机化学;理学—化学]
作者机构：[1]西北工业大学凝聚态结构与性质陕西省重点实验室,西安710129
相关基金：国家自然科学基金（批准号：61078057 50702046）; 西北工业大学基础研究基金（批准号：NPU-FFR-JC200821 NPU-FFR-JC201048）;西北工业大学“翱翔之星”计划资助的课题
相关项目：氧化物超晶格磁阻挫多铁材料及其光响应研究

关键词：钛酸盐, 电子结构, 磁学性质, titanates, electronic structures, magnetic properties

中文摘要：

基于密度泛函理论,从头计算了N掺杂立方结构钛酸盐的电子结构和磁学性质.结果表明,N掺杂钛酸盐在自旋极化状态下的总能量比自旋非极化状态下的总能量小,说明N掺杂钛酸盐的基态具有铁磁性.从态密度和自旋密度分析可知,其磁性源于掺杂的N2p电子和价带顶O2p电子间的p-p耦合作用.

英文摘要：

Based on the density functional theory,the electronic properties of N-doped titanates are investigated.It is found that the titanate doped by a nonmagnetic 2p light element N is ferromagnetic.The local magnetic moment is localized mainly on doped N atoms.Our results indicate that the N-doped titanates may be potential candidates for dilute magnetic semiconducting materials and multiferric materials.

同期刊论文项目

掺杂稀土锰氧化物薄膜及其异质结的光诱导特性研究

期刊论文 50 会议论文 1 获奖 1 专利 2

氧化物超晶格磁阻挫多铁材料及其光响应研究

期刊论文 61

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期刊信息

《物理学报》
北大核心期刊（2011版）

主管单位:中国科学院
主办单位:中国物理学会中国科学院物理研究所
主编：欧阳钟灿
地址：北京603信箱(中国科学院物理研究所)
邮编：100190
邮箱：apsoffice@iphy.ac.cn
电话：010-82649026

国际标准刊号：ISSN：1000-3290
国内统一刊号：ISSN：11-1958/O4
邮发代号:2-425

获奖情况:
1999年首届国家期刊奖,2000年中科院优秀期刊特等奖,2001年科技期刊最高方阵队双高期刊居中国期刊第12位

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被引量:49876