Ara
Toplam kayıt 3, listelenen: 1-3
Ab initio investigation of structural, elastic, and thermodynamic characteristics of tetragonal XAgO compounds (X = Li, Na, K, Rb)
(Institute of Physics, 2023)
The present research utilizes ab initio computations to examine the thermodynamic, structural, and elastic characteristics of XAgO ternary oxides, where X signifies Li, Na, K, and Rb.The GGA-PBE and GGA-WC functionals were ...
Ab initio predictions of the structural, electronic, optical, elastic, and thermoelectric properties of quasi-two-dimensional BaFZnP
(Elsevier, 2023)
We studied the structural parameters, elasticity, electronic structure, linear optical spectra, and thermoelectric coefficients of quasi-two-dimensional BaFZnP using ab initio methods. The computed equilibrium coordinates ...
A Comprehensive Ab Initio Study of the Recently Synthesized Zintl Phase CsGaSb2 Structural, Dynamical Stability, Elastic and Thermodynamic Properties
(Springer, 2024)
A comprehensive examination of the crystal structure, as well as elastic and thermal properties, of the recently created Zintl phase CsGaSb2 has been carried out using ab initio density functional theory pseudo-potential ...