A first-principles study of the transition metals doped ZnSe crystal synthesized by vapor phase thermal diffusion method
A first-principles study of the transition metals doped ZnSe crystal synthesized by vapor phase thermal diffusion method
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气相热扩散法合成过渡金属掺杂ZnSe晶体的第一性原理研究
DOI：
10.1117/12.2236152
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发表时间：
2016
期刊：
影响因子：
--
通讯作者：
Shouhuan Zhou
中科院分区：
文献类型：
--
作者：
Yuqin Zhang;G. Feng;Shouhuan Zhou
采用气相热扩散法合成了过渡金属（TM）掺杂的ZnSe晶体。测量了TM2+掺杂ZnSe晶体的吸收光谱。对 TM2+: ZnSe 的电子结构和光学性质进行了第一性原理计算。结果表明，当 Zn 被 TM 原子取代时，带隙中会产生杂质带（IB），并且在红外区出现额外的吸收峰。实验吸收光谱与计算结果吻合较好，通过电子计算确定这是由TM2+离子的d-d跃迁引起的。
Transition metals (TM) doped ZnSe crystals were synthesized by vapor phase thermal diffusion method. The absorption spectra of TM2+-doped ZnSe crystal were measured. First-principles calculations of the electronic structure and optical properties of TM2+: ZnSe were performed. The results demonstrate that when Zn is replaced by a TM atom, impurity bands (IB) are created in the bandgap and additional absorption peak appears in infrared region. The experimental absorption spectra match well with the calculated results, which is identified by electronic calculations to be caused by d-d transitions of TM2+ ions.
影响因子：
1.9
作者：
Sato, K;Katayama-Yoshida, H
通讯作者：
Katayama-Yoshida, H