[HTML][HTML] Acoustic and thermodynamic properties of cesium niobate under pressure and temperature: A DFT study
The effect of pressure and temperature on acoustic and thermodynamic properties of cubic
CsNbO 3 (CNO) has been demonstrated using first principles method. The high values of …
CsNbO 3 (CNO) has been demonstrated using first principles method. The high values of …
DFT Insights into Mechanical, Vibrational, Electronic, and Optical Properties of Bulk WSe2 Dichalcogenide
The elastic, vibrational, and electro-optical properties of WSe2 using the first-principles
approach have been explored in this study. The lattice parameters of WSe2 are consistent …
approach have been explored in this study. The lattice parameters of WSe2 are consistent …
Exploring the Structural, Elastic, and Optoelectronic Properties of ScCuO3 via Density Functional Theory Approach
SA Shupra, M Sumaiya, M Al‐Helal… - … status solidi (b), 2024 - Wiley Online Library
A thorough analysis of the structural, elastic, electronic, and optical properties of ScCuO3
perovskite is conducted using density functional theory. The compound's structural and …
perovskite is conducted using density functional theory. The compound's structural and …