Stress recognition has been exploited in flexible sensors and has attracted considerable
attention in the fields of electronic skins and intelligent robots towards artificial intelligence …

In this work, the structural, electronic, mechanical, elastic anisotropy, thermodynamic, and
optical properties of TM 5 Si 3 C silicides have been examined using first-principles …

Perovskite oxides are a class of important metal oxide catalysts, the activities of which are
explained largely by the delocalized band descriptor and the local orbital descriptor that are …

Structural, elastic, thermodynamic, electronic and optical properties of four predicted novel
AlN phases (Pmn2 1-AlN, Pbam-AlN, Pbca-AlN and Cmcm-AlN) are calculated using first …

In this work, LaNiO 3 epitaxial thin films on (001) single-crystal LaAlO 3 and SrTiO 3
substrates were deposited by polymer assisted deposition method, respectively …

Modifications of electronic and optical properties due to platinum, silicon, and platinum-
silicon co-doping in the graphitic carbon nitride (gC 3 N 4) monolayer have been explored …

The effect of different Fe doping concentration (x= 0.125, 0.25, 0.375 and 0.5) on electronic
structure and magnetic properties of LaNiO 3 (LNO) have been performed on the spin …

Density functional theory with appropriate functional has been employed to investigate the
metal to insulator transition in oxygen deficient LaNiO 3–x (x= 0.0, 0.25, 0.5, 1.0) …

Using the first principles spin polarized calculations, the electronic structures and magnetic
properties of two C atoms and two S atoms doped LaNiO 3 (LNO) are investigated. For the …

The new P-43m-Si 3 P 2 and P-43m-Si 3 As 2 structures are predicted using the first-
principles approach based density functional theory (DFT). The elastic constants, structural …