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Al和N共掺对Zn1-xMgxO光学性质的影响
  • ISSN号：1000-3290
  • 期刊名称：《物理学报》
  • 时间：0
  • 分类：O484.41[理学—固体物理;理学—物理]
  • 作者机构：[1]四川大学原子与分子物理研究所,成都610065, [2]重庆理工大学光电信息学院,重庆400054, [3]四川师范大学物理与电子工程学院,成都610066
  • 相关基金：国家自然科学基金（批准号：10676025）资助的课题
作者： 刘强[1,2], 程新路[1], 李德华[3], 杨则金[1]
关键词： 密度泛函理论, 氧化锌, 光学性质, 共掺杂, density functional theory, ZnO, optical property, codoping
中文摘要：

基于密度泛函理论第一性原理方法计算了Al和N共掺对Zn1-xMgxO在紫外光波段和可见光波段光学性质的影响.计算结果表明：光学性质变化主要发生在低能区,在高能区光学性质基本保持不变.介电函数虚部、吸收光谱和消光系数计算表明,Al和N共掺后Zn1-xMgxO的光学吸收边产生红移,对部分紫外光和可见光的吸收增强.介电函数实部和反射光谱计算表明,Al和N共掺后Zn1-xMgxO的反射峰强度增大,静态介电常数ε1（0）从2.64增大为3.23.能量损失谱的计算表明,Al和N共掺后Zn1-xMgxO的等离子体共振频率发生蓝移,共振频率的振幅增大.

英文摘要：

Effects of Al and N codoping on the optical properties of Zn1-x MgxO in ultraviolet and visual spectral regions have been systematically investigated using density functional theory based on the first-principles method.It is found that the optical properties of Zn1-xMgxO are caused by the codoped Al and N to vary mainly in a low energy region,whereas they remain almost unchanged in a high energy region.The detailed calculations,including the imaginary part of the dielectric constant,absorption spectrum and extinction coefficient,indicate that due to the codoped Al and N,the optical absorption of Zn1-xMgxO shifts toward lower energy and the absorption of the ultraviolet and the visible absorption increase.Study on the real part of the dielectric constant and reflection spectrum of Zn1-x MgxO shows that the codoped Al and N are responsible for the increased reflection peak intensity,and also for the static dielectric constant increasing from 2.64 to 3.23.In addition,the calculations from the current electron energy loss function indicate that the codoped Al and N lead to the enhanced amplitude and the blue shift of the plasma resonant frequency of Zn1-xMgxO.

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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