Browsing School of Materials Engineering (Articles) by Subject "FPLAPW method"
Now showing items 1-3 of 3
-
Accounting oxygen vacancy for half-metallicity and magnetism in Fe-doped CeO2 dilute magnetic oxide
(Elsevier B.V., 2013)The present work explores the electronic and magnetic properties of Ce 1-xFexO2 (x = 0.125 and 0.06) with and without oxygen vacancies by full potential linear augmented plane wave method (FPLAPW) based on density functional ... -
Effect of cation substitution on electronic band structure of ZnGeAs 2 pnictides: A mBJLDA approach
(Elsevier B.V., 2012-03)The electronic properties of ABAs 2 (A = Zn, Cd; B = Ge, Sn) compounds have been investigated using WIEN2k implementation of full potential linearized augmented plane wave (FPLAPW) method with an aim to study the effect ... -
Variation of half metallicity and magnetism of Cd₁₋xCrxZ (Z=S, Se and Te) DMS compounds on reducing dilute limit
(Elsevier (Imprint: NORTH-HOLLAND), 2013-04)The electronic and magnetic properties of Cr-doped Cd-Chalcogenides, Cd₁₋xCrxZ (Z=S, Se and Te) for dopant concentration, x=0.25 and 0.125 are presented in order to search new Dilute Magnetic Semiconductor (DMS) compounds ...