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LaMnO3/SrMnO3超晶格应变下的电磁性质
  • ISSN号：1673-5196
  • 期刊名称：《兰州理工大学学报》
  • 时间：0
  • 分类：O482.54[一般工业技术—材料科学与工程;理学—固体物理;理学—物理]
  • 作者机构：[1]兰州理工大学材料科学与工程学院,甘肃兰州730050, [2]兰州物理研究所表面工程技术重点实验室,甘肃兰州730000
  • 相关基金：国家自然科学基金（10964003,11164014）; 教育部新教师基金（20096201120002）; 博士后基金（20100470886,201104345）; 兰州物理研究所表面工程技术重点实验室开放基金（BM201101,BM201102）项目的资助
作者： 路文江[1,2], 王玲[1], 汤富领[1,2], 冯煜东[2], 吴春华[2]
关键词： 第一性原理, 轴向应变, 电子结构, first principle, axial strain, electronic structure
中文摘要：

采用基于第一性原理的密度泛函理论研究正交超晶格结构LaMnO3/SrMnO3（LMO/SMO）晶格结构、轴向应变及电磁结构的影响.理论计算结果表明,LMO/SMO随a、b、c及ac方向的轴向应变变化均是铁磁性状态比反铁磁性状态更稳定.Sr掺杂后,LMO正交结构仍保留明显的晶格畸变,SMO的面心立方结构的晶格畸变增加,Mn的3d态及O的2p态在不同的轴向应变下更加复杂.Mn的3d态轨道分波态密度随着负应变的增大,自旋向上和自旋向下态密度趋向于对称,磁性趋向于零.

英文摘要：

Based on the density functional theory in first principle,the lattice constants,axial strain,and electrical magnetic structure of the orthogonal superlattice LaMnO3/SrMnO3（LMO/SMO） were investigated.Theoretical calculation result showed that LMO/SMO would be ferromagnetic and more stable than in anti-ferromagnetic state when the axial strain varied in a,b,c,and ac directions.Upon Sr-doping,the orthogonal structure of LMO would still keep its obvious lattice distortion,but the lattice distortion of face-centered cubic SMO would be aggravated.The 3d state of Mn and 2p state of O would be more complex in the case of different axial strains.The 3d-state orbit project state density of Mn would increase with the negative strain while the spin-up and spin-down density would tend to be symmetrical and the magnetism would tend to be zero.

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LaMnO3/SrMnO3超晶格界面局域晶格/电子结构不均匀性对其电磁性质的影响
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期刊信息
  • 《兰州理工大学学报》
  • 北大核心期刊（2011版）
  • 主管单位:甘肃省教委
  • 主办单位:兰州理工大学
  • 主编：李有堂
  • 地址：甘肃省兰州市兰工坪路287号
  • 邮编：730050
  • 邮箱：journal@lut.cn
  • 电话：0931-2756301
  • 国际标准刊号：ISSN：1673-5196
  • 国内统一刊号：ISSN：62-1081/T
  • 邮发代号:54-72
  • 获奖情况:
  • 甘肃高等校优秀学术期刊,全国优秀高校自然科学学报及教育部优秀科技期刊评...,第二届国家期刊奖百种重点期刊
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  • 被引量:6651