Optoelectronic properties of Nd3+ doped CaTa2O6: Insights from the GGA + U calculations
Optik(2021)
摘要
•Optoelectronic properties of Nd3+-CaTa2O6 have been studied for the first time.•Nd3+ doped CaTa2O6 possesses high degree of spin-symmetric density of states.•Nd3+ doped CaTa2O6 absorbs ultraviolet photons strongly.•Nd3+ doped CaTa2O6 exhibits weak reflectivity over wide spectral band.•Nd3+ doping reduces the band gap energy significantly.
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关键词
Electronic band structure,Optoelectronic properties,Nd3+ doped CaTa2O6,GGA+U formalism
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