Using first principles density functional theory (DFT) simulations, the structural, electronic,
optical and elastic properties of CaTa 2 O 6 oxide for cubic and orthorhombic phases are …

Abstract Ternary selenide chalcogenide Tl 3 AsSe 3 compound was identified as one of the
most promising novel materials and potentially appropriate for multifunction applications …

Abstract The crystallinity of Ca 2 Nb 2 O 7 in glass-ceramics affects the piezoelectric ability
for lead-free piezoelectric materials, but the growth and nucleation mechanism of Ca 2 Nb 2 …

In this work, based on first-principle calculations, the structural, mechanical and phonons
properties of binary intermetallic compound BaSn 3 have been studied through the PBEsol …

Abstract Calcium pyroniobate (Ca2Nb2O7) as a kind of lead‐free piezoelectric material has
been applied for different fields, but the study of isothermal and non‐isothermal growth …

The current work is a study of optoelectronic properties of Nd 3+ doped CaTa 2 O 6 using
the FP-LAPW (full potential-linear augmented plane wave) method as implemented within …

Abstract M 2 P t 2 O 7 (M= S c, Y, and L a) pyrochlores, which are crystalline in face centered
cubic (FCC) structure, have been investigated by Generalized Gradient Approximation …

Transparent conducting oxides (TCOs) of semiconductor family gained significant attention
due to increasing trends in the optoelectronic and thermo-physical applications. In current …

A number of ternary-semiconductor oxides have shown promise for potential applications in
catalysis, thermoelectricity, optoelectronics and electrochemistry. In this work, the …

The article describes the electrophysical properties research results of the solid solution
based on sodium and strontium niobates. The obtained data indicate the preservation of …