Effect of la doping on the electronic structure and optical properties of ZnO

Deng S.H.; Duan M.Y.; Xu M.; He L.

首页> 外文期刊>Physica, B. Condensed Matter >Effect of la doping on the electronic structure and optical properties of ZnO

【24h】

Effect of la doping on the electronic structure and optical properties of ZnO

机译：La掺杂对ZnO电子结构和光学性能的影响

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The electronic structure and optical properties of ZnO doped with La have been investigated using density functional theory based on first-principles ultrasoft pseudopotential method. The calculated results show that the La doping increases the bandgap of ZnO, in agreement with the experimental results; while the Fermi level shifts into the conduction band, revealing the so-called Burstein-Moss effect. In comparison to pure ZnO, a new peak appears in the imaginary part of dielectric function in the system doped with La and the optical absorption edge has been obviously changed. Moreover, the covalent property of Zn_(1-x)La_xO is found to weaken with the increase of La concentration.

机译：利用基于第一性原理的超软pseudo势方法的密度泛函理论研究了掺La的ZnO的电子结构和光学性质。计算结果表明，La掺杂增加了ZnO的带隙，与实验结果吻合。而费米能级移入导带，揭示了所谓的布尔斯坦-莫斯效应。与纯ZnO相比，在掺La的体系中，介电函数的虚部出现一个新的峰，光吸收边缘发生了明显变化。而且，发现Zn_（1-x）La_xO的共价特性随着La浓度的增加而减弱。

著录项

来源
《Physica, B. Condensed Matter》 |2011年第11期|共5页
作者
Deng S.H.; Duan M.Y.; Xu M.; He L.;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词
Electronic structure; First-principles; La-doped ZnO; Optical properties;

机译：电子结构;第一性原理;掺杂La的ZnO;光学性质;

相似文献

外文文献
中文文献
专利

1. First-principle calculation of the electronic structures and optical properties of the metallic and nonmetallic elements-doped ZnO on the basis of photocatalysis [J] . Feng Chang, Chen Zhuoyuan, Li Weibing, Physica, B. Condensed Matter . 2019,第期

机译：基于光催化的金属和非金属元素掺杂ZnO的电子结构和光学性能的第一原理计算
2. First-principles calculations of electronic structure and optical properties of Be-doped ZnO monolayer [J] . Luan Zhaohui, Sun Dan, Tan Changlong, Integrated Ferroelectrics . 2017,第期

机译：具有掺杂ZnO单层的电子结构和光学性质的第一原理计算
3. The first-principles study of electronic structures, magnetic and optical properties for Ce-doped ZnO [J] . Zhang Fuchun, Gan Quan, Yan Meiru, Integrated Ferroelectrics . 2016,第Null期

机译：Ce掺杂ZnO的电子结构，磁性和光学性质的第一性原理研究
4. DFT study of structure, electronic, optical and magnetic properties of ZnO and Cu-doped ZnO clusters [C] . Jianning Ding, Xiuqin Wang, Ningyi Yuan Annual Conference of the Chinese Society of Micro-Nano Technology . 2011

机译：ZnO和Cu掺杂ZnO集群结构，电子，光学和磁性性能的DFT研究
5. Effect of doping on the electronic structures and optical properties of Cesium Iodide. [D] . Weir, Victor Julian. 2008

机译：掺杂对碘化铯电子结构和光学性质的影响。
6. First-Principles Calculations of the Electronic Structure and Optical Properties of Yttrium-Doped ZnO Monolayer with Vacancy [O] . Qian Wu, Ping Wang, Yan Liu, 2020

机译：掺杂钇的ZnO单层空位的电子结构和光学性质的第一性原理计算
7. Microstructure, electronic structure and optical properties of combustion synthesized Co doped ZnO nanoparticles [O] . Srinatha N., Nair K.G.M., Angadi B. 2015

机译：燃烧合成Co掺杂ZnO纳米粒子的微观结构，电子结构和光学性质

Effect of la doping on the electronic structure and optical properties of ZnO

摘要

著录项

相似文献

相关主题

期刊订阅