in present work, we have calculated the electronic properties including density of states and electron density for gan, inn and inxga1-xn  in wurtzite phase for x=0.5. the study is based on density functional theory with full potential linearized augmented plane wave method by generalized gradient approximation for calculating electronic properties. in this report we concluded that inxga1-xn ba...

Optoelectronic and thermoelectric properties of A3InAs3 (A = Sr Eu) Zintl compounds are investigated using FP-LAPW method with LDA, GGA mBJ potentials for Sr3InAs3 in addition Hubbard (U) Eu3InAs3 based on DFT. Electronic reveal that both the direct bandgap semiconductors their semiconducting nature is also supported by electrical resistivity (conductivity). The value ranging from 0.50 to 0.74 ...

Background During automated radiofrequency (RF) annotation-guided pulmonary vein isolation (PVI), respiratory motion adjustment (RMA) is recommended, yet lacks in vivo validation. Methods Following contact force (CF) PVI (continuous RF, 30 W) using general anesthesia and RF annotation-guidance (VISITAG™: force-over-time 100% minimum 1 g; 2 mm position stability; ACCURESP™ RMA “off”) 25 patients...

A theoretical study of electronic and optical properties of PbTe using the full-potential augmented plane waves (FP-LAPW) within density-functional theory (DFT) was presented as implemented in WIEN2k code. We adopted the dipole approximation in our optical calculations. The dielectric function was calculated in the momentum representation, which requires matrix elements of the momentum p betwee...

Using the density-functional theory within the Full Potential Linear Augmented PlaneWave (FP-LAPW) method, we have calculated, in this work, the equation of state, the e ective charges and the phonon dispersion along [100] and [111] directions for the cubic III-Nitrides(c-BN, c-AlN, c-GaN and c-InN), including hydrostatic strains dependence. A good agreement with the micro-Raman scattering expe...

The electronic structure of SrBi 2 Ta 2 O 9 is investigated from first-principles, within the local density approximation, using the full-potential linearized augmented plane wave (LAPW) method. The results show that, besides the large Ta(5d)-O(2p) hybridization which is a common feature of the ferroelectric perovskites, there is an important hybridization between bismuth and oxygen states. The...