The present work investigates the less explored thermoelectric properties of n-type GaN semiconductors by combined both experimental and computational tools. Seebeck coefficients epitaxial thin films were experimentally measured in wide temperature range from 77 K to 650 steps ~10 covering low high-temperature regimes as a function carrier concentration 2 x1016, x 1017, 4 1017 8 cm-3. coefficie...

Atherosclerosis is a chronic immunomodulated disease that affects multiple vascular beds and results in significant worldwide burden. Conventional imaging modalities focus on the morphological features of atherosclerotic such as degree stenosis caused by lesion. Modern CT, MR positron emission tomography scanners have seen improvements rapidity image acquisition spatial resolution. This has inc...

Prediction of new materials is crucial for the advancement technology. Here, in this research work, first-principle computation has been conducted utilizing WIEN2K package to probe structural, electronic, mechanical, and optical properties barium-based chloroperovskites BaMCl3 (M = Ag, Cu) compounds. The optimized lattice constants are calculated both compounds which 9.90 Bohr BaAgCl3 9.38 BaCu...

Recently, SnTe has gained attention due to its non-trivial topological nature and eco-friendly thermoelectric applications. We report a detailed temperature dependent electronic structure thermodynamic properties of this compound using DFT GW methods. The calculated values bandgaps by PBEsol $G_0W_0$ methods are found be in good agreement with the experiment, whereas mBJ underestimates bandgap....

Band gap tuning of titanium based perovskite oxides through chalcogen doping is an attractive avenue for realizing visible light driven photocatalysis hydrogen production. Unfortunately, accommodating a atom at O-site BaTiO3 thermodynamically challenging owing to large differences in the atomic radii and electronegativities oxygen atoms. In present study we employ first-principles density funct...

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...

Abstract Staphylococcus aureusis the primary causative agent of osteomyelitis, a severe inflammatory bone infection. Treatment for osteomyelitis includes long-term antibiotic treatment, surgical debridement necrotic bone, or even amputation. is challenging due to an inability antibiotics penetrate tissue and resident cells that harbor intracellular bacteria, increased incidence infections assoc...

Recently, Fang et al. have predicted a high ZT of 1.54 in TaSbRu alloys at 1200 K from first-principles without considering spin-orbit interaction, accurate electronic structure, details phonon scattering, and energy-dependent holes relaxation time. Here, we report the structural stability thermoelectric performance Bi-Substituted p-type calculations theses important parameters. This indirect b...