Related papers: Defect physics and electronic properties of Cu3PSe…
Ultra-wide bandgap semiconductors such as \b{eta}-Ga2O3 are ideal materials for next-generation power electronic devices. Electronic and mechanical properties of \b{eta}-Ga2O3 can be tuned by alloying with other sesquioxides, notably Al2O3…
For semiconductors used in photovoltaic devices, the effective mass approximation allows calculation of important material properties from first-principles calculations, including optical properties (e.g. exciton binding energies), defect…
We present a comprehensive study of the electronic, magnetic, and optical properties of CuGa$_{1-x}$Fe$_x$S$_2$, as a promising candidate for intermediate-band (IB) solar cells. We use hybrid exchange-correlation functional within the…
In this work an overall electronic structure including the position and formation energies of various intrinsic defects are computed for anatase using Density Functional Theory aided by Hubbard correction (DFT+U). The intrinsic point…
Reducing the thickness of Cu(In,Ga)Se2 solar cells is a key objective in order to reduce production cost and to improve sustainability. The major challenge for sub-micron Cu(In,Ga)Se2 cells is the recombination at the backside. In standard…
Record efficiency in chalcopyrite-based solar cells Cu(In,Ga)(S,Se)2 is achieved using a gallium gradient to increase the band gap of the absorber towards the back side. Although this structure has successfully reduced recombination at the…
We have studied the electronic structure of InN and GaN employing G0W0 calculations based on exact-exchange density-functional theory. For InN our approach predicts a gap of 0.7 eV. Taking the Burnstein-Moss effect into account, the…
Understanding defects in atomically thin van der Waals (vdW) semiconductors is essential for advancing their use in next-generation optoelectronic and photovoltaic devices. Here, we apply a combination of various impedance spectroscopy…
We perform first-principles calculations of electronic structure and optical properties for UO2 and PuO2 based on the density functional theory using the generalized gradient approximation (GGA)+\emph{U} scheme. The main features in…
Point-contact p-type high-purity germanium detectors (PPC HPGe) are particularly suited for detection of sub-keV nuclear recoils from coherent elastic scattering of neutrinos or light dark matter particles. While these particles are…
Tellurium allows attaining heavy n-type doping levels in GaAs, which is suited to achieve very low contact resistivities in solar cells. Besides, it modifies the energy bandgap of MOVPE-grown GaInP by reducing the group-III sublattice…
Ultrawide bandgap semiconductor $\beta$-Ga2O3 holds extensive potential for applications in high-radiation environments. One of the primary challenges in its practical application is unveiling the mechanisms of surface irradiation damage…
The mobility and disorder in the lattice of Cu atoms as liquid-like behavior is an important characteristic affecting the thermoelectric properties of Cu$_{2}$S. In this study, using a theoretical model called acanthite-like structure for…
The rigorous coupled-wave approach (RCWA) and the differential evolution algorithm (DEA) were coupled in a practicable approach to maximize absorption in optical structures with three-dimensional morphology. As a model problem, optimal…
We present an accurate, first-principles study of the electronic structure and absorption spectrum of bulk copper within Density Functional Theory in the Local Density Approximation (DFT-LDA), including the study of intraband transitions.…
We report the first empirical efficiency measurement of germanium-based thermophotovoltaic devices under high-temperature, high-irradiance conditions using a high view-factor calorimetric setup. Two TPV cell architectures were fabricated on…
Alloying small quantities of silver into Cu(In,Ga)Se2 was shown to improve the efficiency for wide and low band gap solar cells. We study low band gap industrial Cu(In,Ga)(S,Se)2 absorbers, substituting less than 10% of the copper with…
$\beta$-Ga$_2$O$_3$ is an ultra-wide bandgap semiconductor and is thus expected to be optically transparent to light of sub-bandgap wavelengths well into the ultraviolet. Contrary to this expectation, it is found here that free electrons in…
Perovskite indoor photovoltaics (PIPVs) are emerging as a transformative technology for low-light intensity energy harvesting, owing to their high power conversion efficiencies (PCEs), low-cost fabrication, solution-processability, and…
The potential of Fe2TiSn full-Heusler compounds for thermoelectric applications has been suggested theoretically, but not yet grounded experimentally, due to the difficulty of obtaining reproducible, homogeneous, phase pure and defect free…