Creating Intermediate Bands in ZnTe via Co-Alloying Approach

Wan-Jian Yin, Suhuai Wei, Mowafak Al-Jassim, JunHo Kim, Joongoo Kang, Yanfa Yan

Research output: Contribution to journalArticlepeer-review

7 Scopus Citations

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.

Original languageAmerican English
Article number121201
Number of pages4
JournalApplied Physics Express
Volume7
Issue number12
DOIs
StatePublished - 2014

Bibliographical note

Publisher Copyright:
© 2014 The Japan Society of Applied Physics

NREL Publication Number

  • NREL/JA-5K00-63651

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