We are interested in first-principles based or empirical and semi-empirical methods to study, characterize, and optimize materials for optoelectronic applications. Excerpts from some of our recent works are shown below as a brief overview.


Our research is supported by the National Science Foundation (NSF), Department of Homeland Security (DHS), and Arkansas State University.

Search for improved-performance scintillator candidates among the
electronic structures of mixed halides
Qi Li, Richard T. Williams, Arnold Burger, Rajendra Adhikari, and Koushik Biswas

Proc. of SPIE 9213, 92130M-1 (2014)



Electronic structure engineering of elpasolites: Case of Cs2AgYCl6
Mao-Hua Du and Koushik Biswas

J. Luminescence 143, 710 (2013)

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Energy transport and scintillation of cerium-doped elpasolite Cs2LiYCl6: Hybrid density functional calculations
Koushik Biswas and Mao-Hua Du

Phys. Rev. B 86, 014102 (2012)

Figure Figure Figure Figure Figure


Electronic structure and defect properties of Tl6SeI4: Density functional calculations
Koushik Biswas, Mao-Hua Du, and David J. Singh

Phys. Rev. B 86, 144108 (2012)

Figure Figure Figure Figure

What causes high resistivity in CdTe
Koushik Biswas and Mao-Hua Du

New Journal of Physics 14, 063020 (2012)



Anionic and Hidden Hydrogen in ZnO
Mao-Hua Du and Koushik Biswas

Phys. Rev. Lett. 106, 115502 (2011)

Figure Figure


The electronic consequences of multivalent elements in inorganic solar absorbers: Multivalency of Sn in Cu2ZnSnS4
Koushik Biswas, Stephan Lany, and Alex Zunger

Appl. Phys. Lett. 96, 201902 (2010)