A Theoretical Investigation for Electronics Structure of Mg(Bio2)2 Semiconductor Using First Principle Approach
Publish place: International Journal of New Chemistry، Vol: 7، Issue: 3
Publish Year: 1399
نوع سند: مقاله ژورنالی
زبان: English
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JR_IJNC-7-3_006
تاریخ نمایه سازی: 22 دی 1399
Abstract:
The Mg(BiO2)2 is the orthorhombic crystal system acting as semiconductor in electric devices. To evaluate electronic band structures, the total density of state (TDOS) and the partial density of state (PDOS), Generalized Gradient Approximation (GGA) based on the Perdew–Burke–Ernzerhof (PBE0) was used for Mg(BiO2)2. The band gap was recorded at 0.959 eV, which is supported by a good semiconductor. The density of states and partial density of states were simulated for evaluating the nature of 5s, 4d for Mg, 6s, 4f, 5d, 6p for Bi and 2s, 2p for O atom for Mg(BiO2)2 to explain the transition of the electron due to hybridization. From the PDOS, it was illustrated that the d orbital of Bi atom responses for conducting the electronic holes.
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Authors
Kamal Bikash Chakma
Department of Electrical and Electronic Engineering, European University of Bangladesh, Gabtoli, Dhaka-۱۲۱۶, Bangladesh
Ajoy Kumer
Department of Chemistry, European University of Bangladesh, Dhaka-۱۲۱۶, Bangladesh
Unesco Chakma
Department of Electrical and Electronic Engineering, European University of Bangladesh, Gabtoli, Dhaka-۱۲۱۶, Bangladesh
Debashis Howlader
Department of Electrical and Electronic Engineering, European University of Bangladesh, Gabtoli, Dhaka-۱۲۱۶, Bangladesh
Md. Tawhidul Islam
Department of Electrical and Electronic Engineering, European University of Bangladesh, Gabtoli, Dhaka-۱۲۱۶, Bangladesh
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