After being used for years in the chemistry community to describe molecular properties,
hybrid functionals have been increasingly and successfully employed for a wide range of …

Energy‐related functionality and performance of organic–inorganic hybrid perovskites, such
as methylammonium lead iodide (MAPbI3), highly depend on their thermal transport …

BaTiO 3 is a classical ferroelectric studied for last one century for its ferroelectric properties.
Lattice dynamics of BaTiO 3 is crucial as the utility of devices is governed by phonons. In this …

We present a first-principles study of the low-temperature rhombohedral phase of BaTiO 3
using Hubbard-corrected density-functional theory. By employing density-functional …

Identifying the forces that drive a temperature‐induced phase transition is always
challenging in the prospect of the first‐principles methods. Herein, we perform a first …

Density functional theory (DFT) was used to investigate the structure and polarization of lead-
free piezoelectric, Ba (1− x) CaxZryTi (1− y) O3, perovskite solid solutions, namely BaTiO3 …

The oxyhydride phase of barium titanate, BaTiO3− xHx, is a mixed hydride ion and electron
conductor. The substitution of oxygen with hydrogen to form a hydride ion is accompanied …

We report the magneto-optic Kerr effect (MOKE) angle of Au magnetically excited by spin
accumulation. We perform time-resolved polar MOKE measurements on Au/Co …

The electrical transport properties of undoped and yttrium-doped strontium titanate (Sr (Ti 1–
x Y x) O 3–δ, x= 0, 0.02) under high pressure were investigated with in situ impedance …

We studied the phase transition behavior of cubic BaZrO 3 perovskite by in situ high
pressure synchrotron X-ray diffraction experiments up to 46.4 GPa at room temperature. The …