Ara
Toplam kayıt 5, listelenen: 1-5
A first-principles investigation on the structural, electronic and optical characteristics of tetragonal compounds XAgO (X = Li, Na, K, Rb)
(Elsevier B.V., 2024)
First-principles calculations employing the density functional theory full-potential (linearized) augmented plane-wave plus local orbitals (FP-(L)/APW + lo) method were conducted to investigate the structural, electronic ...
Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of CaLiX3 (X = Cl, Br, and I) halide perovskites
(Elsevier B.V., 2023)
In this comprehensive investigation, we undertook an ab initio exploration of the pressure-dependent structural, elastic and thermodynamic attributes of lithium-based halide perovskite compounds, namely CaLiCl3, CaLiBr3 ...
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 ...
Optical Waveguide of Lithium Niobate Nanophotonics
(Wiley, 2023)
Lithium niobate (LiNbO3) is single crystal and important material for optical waveguides, mobile phones, piezoelectric sensors, optical modulators, and various other linear and nonlinear optical applications. Nanophotonics ...
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 ...