Creating intermediate bands in ZnTe via co-alloying approach
- Title
- Creating intermediate bands in ZnTe via co-alloying approach
- Author(s)
- Kim, J[Kim, Junho] ; Yin, WJ[Yin, Wan-Jian] ; Kang, J[Kang, Joongoo] ; Yan, Y[Yan, Yanfa] ; Wei, SH[Wei, Su-Huai] ; Al-Jassim, MM[Al-Jassim, Mowafak M.]
- DGIST Authors
- Kang, J[Kang, Joongoo]
- Issued Date
- 2014-12
- Type
- Article
- Article Type
- Article
- Subject
- Alloying ; Calculations ; Charge Transfer ; Donor-Acceptor Pairs ; Donor-Acceptors ; Donor and Acceptor ; Doping (Additives) ; Energy Gap ; First-Principles Calculation ; Intermediate Bands ; Orbital Energy ; Zinc Compounds
- ISSN
- 1882-0778
- Abstract
- We propose an effective co-alloying approach to creating an intermediate band (IB) in bulk ZnTe. First-principles calculations show that a donor-acceptor co-alloying scheme can produce an IB within the band gap of ZnTe and that the position of the IB can be tuned by choosing appropriate donor-acceptor pairs. We find that the position of the IB is governed by the atomic d-orbital energies of dopants, and also by the charge transfer between donor and acceptor atoms and their subsequent intra- and inter-Coulomb interactions. Therefore, the location of the IB can be manipulated by selecting donors and acceptors with desirable d-orbital energies and electronegativities. © 2014 The Japan Society of Applied Physics
- Publisher
- Institute of Physics Publishing
- Related Researcher
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Kang, Joongoo 화학물리학과
- Research Interests Computational Materials Science ＆ Materials Design; Nanomaterials for Energy Applications; Theoretical Condensed Matter Physics
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- Appears in Collections:
- Department of Physics and Chemistry Computational Materials Theory Group 1. Journal Articles
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