We have investigated the electronic structure and thermodynamic properties of supercell of the -Al2O3 by first-principles calculation in framework of density functional theory (DFT) and full potential linearized augmented plane wave (FP-LAPW) with generalized gradient approximation (GGA) and by quasi-harmonic Debye model. Our calculated value for direct band gap of α-Al2O3 is 7.2 eV which i...

In this article, we examine the structure, electronic, optical, and magnetic properties of ZnTe before after doping with transition metal Mn. The ab initio calculations compound were performed using full potential linearized extended planar waveform (FP-LAPW) in context density functional theory (DFT) implemented Wien2K code. for exchange correlation was addressed by GGA approximation. electron...

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...

This work focuses on study of the structural, electronic, thermodynamic and thermoelectric properties RbNbCd RbNbZn Half Heusler (HH), utilizing a full-potential linearized augmented plane wave (FP-LAPW) approach Boltzmann transport equation using constant relaxation time approximation within context density functional theory (DFT) as embedded in WIEN2k code. The structural analysis employed ge...

BACKGROUND The left atrial posterior wall (LAPW) is potentially an important area for the development and maintenance of atrial fibrillation. We assessed whether there are regional electrical differences throughout the murine left atrial myocardium that could underlie regional differences in arrhythmia susceptibility. METHODS We used high-resolution optical mapping and sharp microelectrode re...