The terminating layer of a perovskite (001) ABO3 crystal, with A as an alkaline earth metal
and B as a transition metal, influences the characteristics of the surface. The morphology …

An improved understanding of the grain growth kinetics in Erbium-doped Barium Titanate
(BTE), has attracted great interest in its applications in photonic and electronic devices. To …

Intriguing topological polar structures in oxide nanofilms have drawn growing attention
owing to their immense potential applications in nanoscale electronic devices. Here, we …

Nanoscale design of complex oxide heterostructures and thin films is imperative as they
have significant promise in novel technological applications. A coherent interface is formed …

Oxygen diffusion is a key process in BaTiO3 and SrTiO3 that determines many of their
important electronic properties. Despite the importance of oxygen diffusion in these systems …

We study epitaxial SrTiO 3 interfaced with Nb-doped SrTi 1-x Nb x O 3 (x= 0, 0.125, 0.25,
0.375, and 0.5) by full-potential density functional theory. From the electronic band structures …

Atomistic simulation has been employed to generate models with ever increasing structural
complexity: often approaching those observed in real systems. Consequently, constructing …

Recently, threading dislocations were identified as the origin of the high critical currents in
YBa2Cu3O7− δ films [Nature (Lond.) 399 (1999) 439]. As these dislocations originate at the …

We clarified here an epitaxial growth mechanism of ZnO (0001) surface on an atomic scale,
by using molecular-dynamics crystal-growth simulations. It was observed that the crystal …

We investigate Pr doping at the Sr site as a possible route to enhance the thermoelectric
behavior of SrTiO3-based materials, using first principles calculations in full-potential density …