the electronic structure, energy band structure and electronic density of 2 sno ceramic in cubicphase have been investigated using first principle full potential-linearized augmented plane wave (fp-lapw)method within density functional theory (dft). local density approximation (lda) and the generalizedgradient approximation (gga), which are based on exchange- correlation energy optimization wer...

Half-metallic ferromagnetic (HMF) materials demonstrate 100% spin polarization at the Fermi level, making them promising candidates for spintronic sensing applications. In this work, full potential linearized augmented plane wave (FP-LAPW) density functional theory (DFT) method is used to calculate electro-magnetic properties of transition metal perovskite NbScO3 using generalized gradient appr...

In this study, we used the FP-LAPW technique based on density functional theory applied in WIEN2k code to examine structural, electronic, elastic, and thermoelectric properties of cubic double perovskite Rb2InBiX6 (X = Cl, Br) compounds. The structural stability was confirmed from tolerance factor, formation energy, phonon dispersion. exchange-correlation potentials LDA, GGA, mBJ, HSE were esti...