Green's function methods provide a robust, general framework within many-body theory for
treating electron correlation in both excited states and x-ray spectra. Conventional methods …

Solar energy is the extreme realistic solution to regularly growing energy crisis. Several
solar energy conversion systems have been in harnessing into useful form of energy. The …

Iron pyrite (FeS2) is considered a promising earth-abundant semiconductor for solar energy
conversion with the potential to achieve terawatt-scale deployment. However, despite …

Atom-like defects in solid-state hosts are promising candidates for the development of
quantum information systems, but despite their importance, the host substrate/defect …

With rising energy demand and depleted traditional fuels, solar cells offer a sustainable and
clean option. In recent years, and due to its acceptable band gap, high absorption …

Transition metal sulfides (TMSs) are of special interest in energy conversion and storage
devices. Amongst all sulfides, fool's gold or iron pyrite (FeS2) is potentially an attractive …

The promising photovoltaic activity of pyrite (FeS2) is attributed to its excellent optical
absorptivity and earth abundance, but its band gap, 0.95 eV, is slightly lower than the …

Iron disulfide (FeS2) has attracted a lot of interest for photovoltaic and photoelectrochemical
applications due to its favorable electronic and optical properties. The theoretical description …

We present results from first principle, local density approximation (LDA) calculations of
electronic, transport, and bulk properties of iron pyrite (FeS2). Our non-relativistic …

The combined effect of alloying and biaxial strain on atomic structure, as well as electronic
and optical properties of FeS 2 was first examined by the first-principles calculation. By …