A 2 AgCrCl 6 (A= Li, Na, K, Rb, Cs) halide double perovskites: a transition metal-based semiconducting material series with appreciable optical characteristics

PR Varadwaj - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
We have theoretically examined the geometries, electronic density of states and band
structures of cubic and hexagonal A2AgCrCl6 (A= Cs, Rb, K, Na, Li) using meta-GGA SCAN …

Unusual mechanical strengths of Ta2O5 stable phases: A first-principles calculation study

Y He, H Sun - Journal of Applied Physics, 2023 - pubs.aip.org
Tantalum, in its most stable Ta 2 O 5 oxide form, has long been recognized as a superior
coating material in orthopedic applications. In this study, the ideal mechanical strengths of …

[HTML][HTML] Domain epitaxial growth of Ta3N5 film on c-plane sapphire substrate

JC Chang, J Birch, GK Gueorguiev, B Bakhit… - Surface and Coatings …, 2022 - Elsevier
Abstract Tritantalum pentanitride (Ta 3 N 5) semiconductor is a promising material for
photoelectrolysis of water with high efficiency. Ta 3 N 5 is a metastable phase in the complex …

Structural properties of Ta2O5 deposited films using atomistic modeling

FV Grigoriev, VB Sulimov, DC Kutov… - Applied Optics, 2025 - opg.optica.org
The previously developed method of atomistic modeling of physical vapor deposition is
applied to study the structural properties of T a 2 O 5 films. For the first time, to the best of our …

Study of structural properties of Ta2O5 deposited films using atomistic

F Grigoriev, V Sulimov, D Kutov, A Tikhonravov - 2024 - opg.optica.org
The previously developed method of atomistic modeling of physical vapor deposition is
applied to study the structural properties of Ta2O5 films. For the first time, the structural …