Complex oxide interfaces have mesmerized the scientific community in the last decade due
to the possibility of creating tunable novel multifunctionalities, which are possible owing to …

Whenever a compound crystal is cut normal to a randomly chosen direction, there is an
overwhelming probability that the resulting surface corresponds to a polar termination and is …

In condensed matter physics the quasi two-dimensional electron gas at the interface of two
different insulators, polar LaAlO3 on nonpolar SrTiO3 (LaAlO3/SrTiO3) is a spectacular and …

Functional oxides on silicon have been the subject of in-depth research for more than 20
years. Much of this research has been focused on the quality of the integration of materials …

In this paper, we perform a comparative study based on ab initio modeling for perovskite
ABO 3 (001) surfaces and surface defect energetics in order to understand the influence of …

We have investigated the structural phase transitions of the transition metal oxide
perovskites SrTiO 3, LaAlO 3, and LaTiO 3 using the screened hybrid density functional of …

Density functional theory by means of the mixed-basis pseudopotential method was
employed to carry out electronic-structure calculations of interfaces in Sr Ti O 3∕ La Al O 3 …

Using density-functional theory (DFT) calculations, the formation energies, electron affinities
and electronic levels of various intrinsic defects in bulk LaAlO 3 are investigated. Results …

The authors report on the impact of interface layer composition on electrical properties of
epitaxial Gd 2 O 3 thin films on Si (001) substrates. The electrical properties of epitaxial Gd 2 …

Crystalline metal oxides display a large number of physical functionalities such as
ferroelectricity, magnetism, superconductivity, and Mott transitions. High quality …