菜单
  
    摘要本文以NiCrO3为研究对象,采用密度泛函理论,从理论上系统研究了压力对其几何结构、电子自旋特性、能带结构、磁学特性、居里温度等的影响,通过对反铁磁钙钛矿氧化物NiCrO3施加静水压力,成功调制得到了具有半金属特性的NiCrO3。当压力高于80GPa时,NiCrO3由常压下的反铁磁半导体转变为反铁磁半金属,自旋向上子带的能隙由3.9eV减至2.5eV;自旋向下子带的能隙由0.35eV减为零。Ni,Cr和O离子的磁矩在施加的压力范围内只有细微的变化,同时,Ni和Cr离子均呈现为高自旋态。反铁磁半导体NiCrO3的奈尔温度随着压力的增加将从270K逐渐上升,并在压力为60GPa左右时,达到最大值321K;而反铁磁半金属NiCrO3奈尔温度大约为309K。本毕业论文的研究成果为压力环境下材料器件的使用、压力对材料物理性质的影响以及通过压力有效调控材料的物理性质提供有力的理论指导。19583
    关键词   钙钛矿氧化物  NiCrO3  几何结构  电磁学性质   压力
    毕业论文设计说明书(论文)外文摘要
    Title    Pressure effects on the physical properties
        Of perovskite oxides of NiCrO3。
    Abstract
    In this paper, NiCrO3 for the study, using density functional theory , system theory to study the pressure on its geometry , electron spin characteristics , band structure , the impact of magnetic properties , Curie temperature, etc. , by antiferromagnetic perovskite oxide NiCrO3 hydrostatic pressure applied successfully got NiCrO3 modulation with half-metallic properties. When the pressure is higher than 80GPa, NiCrO3 by the antiferromagnetic semiconductors under pressure into a half-metallic antiferromagnetic , spin-up sub-band energy gap from 3.9eV down to 2.5eV; spin-down sub-band energy gap by 0.35eV reduced to zero . Ni, Cr , and only minor changes in the magnetic moment of O ions exert pressure range , while , Ni and Cr ions are rendered as high-spin state . Nair antiferromagnetic semiconductor with increasing temperature NiCrO3 pressure gradually increased from 270K and a pressure of about 60GPa , the maximum 321K; the half-metallic antiferromagnetic NiCrO3 Nair temperature of about 309K. Results of this study for the use of the material of the device under pressure , the effect of pressure on the physical properties of materials as well as through the effective regulation of the pressure of the physical properties of the material to provide theoretical guidance . In this paper, NiCrO3 for the study, using density functional theory , system theory to study the pressure on its geometry , electron spin characteristics , band structure , the impact of magnetic properties , Curie temperature, etc. , by antiferromagnetic perovskite oxide NiCrO3 hydrostatic pressure applied successfully got NiCrO3 modulation with half-metallic properties. When the pressure is higher than 80GPa, NiCrO3 by the antiferromagnetic semiconductors under pressure into a half-metallic antiferromagnetic , spin-up sub-band energy gap from 3.9eV down to 2.5eV; spin-down sub-band energy gap by 0.35eV reduced to zero . Ni, Cr , and only minor changes in the magnetic moment of O ions exert pressure range , while , Ni and Cr ions are rendered as high-spin state . Nair antiferromagnetic semiconductor with increasing temperature NiCrO3 pressure gradually increased from 270K and a pressure of about 60GPa , the maximum 321K; the half-metallic antiferromagnetic NiCrO3 Nair temperature of about 309K. Results of this study for the use of the material of the device under pressure , the effect of pressure on the physical properties of materials as well as through the effective regulation of the pressure of the physical properties of the material to provide theoretical guidance.
    Keywords  Perovskite NiCrO3    Structural property    Electronic structrue      pressure
  1. 上一篇:ANSYS非均质梯度材料圆筒的动态应力的有限元分析
  2. 下一篇:MATLAB高斯光束在晶体中的传播研究+文献综述
  1. 应变对双钙钛矿氧化物Sr2FeMoO6物性的影响

  2. 压力传感器中硅膜片的热...

  3. 毫秒激光对光电二极管的...

  4. 激光清洗原理及应用

  5. 牙齿结构特性对激光超声...

  6. 激光雷达测距统计特性对目标识别的影响研究

  7. Comsol长脉冲激光参数对在...

  8. 十二层带中心支撑钢结构...

  9. 电站锅炉暖风器设计任务书

  10. java+mysql车辆管理系统的设计+源代码

  11. 大众媒体对公共政策制定的影响

  12. 当代大学生慈善意识研究+文献综述

  13. 中考体育项目与体育教学合理结合的研究

  14. 杂拟谷盗体内共生菌沃尔...

  15. 河岸冲刷和泥沙淤积的监测国内外研究现状

  16. 乳业同业并购式全产业链...

  17. 酸性水汽提装置总汽提塔设计+CAD图纸

  

About

751论文网手机版...

主页:http://www.751com.cn

关闭返回