Structural stability of SrZrO3 perovskite and improvement in electronic and optical properties by Ca and Ba doping for optoelectronic applications: a DFT approach

S. S. A. Gillani,Riaz Ahmad,I. Zeba,Islah-u-din,Muhammad Rizwan,Muhammad Rafique,M Shakil,Saqib Jabbar,Muhammad Hussnain Siddique

Structural stability of SrZrO3 perovskite and improvement in electronic and optical properties by Ca and Ba doping for optoelectronic applications: a DFT approach

2019

S. S. A. Gillani
Riaz Ahmad
I. Zeba
Islah-u-din
Muhammad Rizwan
Muhammad Rafique
M Shakil
Saqib Jabbar
Muhammad Hussnain Siddique

ABSTRACTA detailed theoretical study, based on density functional theory (DFT) with GGA-PBE, of electronic, optical and structural properties of calcium (Ca) and barium (Ba)-doped SrZrO3, is presen...

Keywords:

Perovskite
Structural stability
Chemical physics
Doping
Density functional theory
Materials science
Condensed matter physics
Barium
Electronic band structure
Optoelectronics
optoelectronic materials

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