Analysis of the Performance of the mBJLDA Potential Considering Pressure Effects. (Análisis del rendimiento del potencial mBJLDA considerando efectos de presion.)

AbstractIn this paper a detailed analysis of the performance of the modified Becke-Johnson potential (mBJLDA) considering hydrostatic pressure effects is reported. The band gap was calculated for a set of semiconductors using the mBJLDA potential. These results were compared with those obtained by o...

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Hlavní autoři:	Camargo Martínez, J. A., Correa Higuera, L. J., Baquero, R.
Médium:	Online
Jazyk:	spa
Vydáno:	Universidad Pedagógica y Tecnológica de Colombia 2015
Témata:	Band Gap Problem GW Approximation Hybrid Functionals Hydrostatic Pressure mBJLDA Potential Wien2k Code. (Problema de la brecha de energía prohibida Aproximación GW Funcionales híbridos Presión hidrostática Potencial mBJLDA Código Wien2k.)
On-line přístup:	https://revistas.uptc.edu.co/index.php/ciencia_en_desarrollo/article/view/3666