Wide bandgap oxide semiconductors constitute a unique class of materials that combine
properties of electrical conductivity and optical transparency. They are being widely used as …

Point defects and impurities strongly affect the physical properties of materials and have a
decisive impact on their performance in applications. First-principles calculations have …

ABSTRACT Gallium oxide (Ga2O3) is an emerging wide bandgap semiconductor that has
attracted a large amount of interest due to its ultra-large bandgap of 4.8 eV, a high …

Metal oxides possess exceptional potential as base materials in emerging technologies. In
recent times, significant amount of research works is carried out on these materials to assess …

Do** mobile carriers into ordinary semiconductors such as Si, GaAs, and ZnO was the
enabling step in the electronic and optoelectronic revolutions. The recent emergence of a …

Tin selenide (SnSe) has emerged as a surprising new material with exceptional thermal
transport and charge transport properties such as ultralow thermal conductivity, which give it …

Inorganic non-toxic metal halide perovskites have taken the dominant place in
commercialization of the optoelectronic devices. The first principles simulation has been …

Abstract The Automatic-Flow (AFLOW) standard for the high-throughput construction of
materials science electronic structure databases is described. Electronic structure …

The organic–inorganic hybrid perovskite solar cells (PSCs) have been emerging as a
promising photovoltaic technology with the rapid development of power conversion …

Using first-principles calculations we have studied the electronic and structural properties of
cation vacancies and their complexes with hydrogen impurities in SnO 2, In 2 O 3 and β-Ga …