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Technical Report CMS-TR-20190712


Title First principle study of In/Ga-doped phosphorene
Author/s Mohammad Ubaid
Department of Physics, Jamia Millia Islamia, New Delhi-110025, India
Bhalchandra S. Pujari
Centre for Modeling and Simulation, Savitribai Phule Pune University, Pune 411 007 India
A. Aziz
Department of Physics, Jamia Millia Islamia, New Delhi-110025, India
Abstract We studied the structural, energetic and electronic properties of black phosphorene mono layer doped with indium and gallium atom. We replaced a P atom by indium and gallium atom of 16 atom phosphorene mono layer. We found the strong binding of the In and Ga atom with the phosphorene. We suggest that both the atoms are promising dopant. Our results demonstrate that the doped system becomes completely indirect band gap semiconductor with enhanced electrical conductivity. These findings indicate that the In/Ga doped phosphorene can be used as promising material for the gas sensing.
Keywords DFT, phosphorene
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Citing This Document Mohammad Ubaid, Bhalchandra S. Pujari, and A. Aziz, First principle study of In/Ga-doped phosphorene. Technical Report CMS-TR-20190712 of the Centre for Modeling and Simulation, Savitribai Phule Pune University, Pune 411007, India (2019); available at http://cms.unipune.ac.in/reports/.
Notes, Published Reference, Etc.
Contact bspujari@cms.unipune.ac.in
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