Browsing International Journal of Nanoelectronics and Materials (IJNeaM) by Subject "ab inition methods"
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(Universiti Malaysia Perlis, 2010)The FP-LAPW method is employed and the gradient generalized approximation (GGA) is used to treat the exchange-correlation potential. In this study we considered the A₃Ti₀.₅V₀.₅ alloy case. In which we investigated the ...