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Creating intermediate bands in ZnTe via co-alloying approach
- Creating intermediate bands in ZnTe via co-alloying approach
- 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]
- Issue Date
- Applied Physics Express, 7(12)
- Article Type
- 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
- 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
- Institute of Physics Publishing
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- Emerging Materials ScienceETC1. Journal Articles
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