Related papers: Ternary Wide Band Gap Oxides for High-Power Electr…
We report the computational investigation of a series of ternary X$_4$Y$_2$Z and X$_5$Y$_2$Z$_2$ compounds with X={Mg, Ca, Sr, Ba}, Y={P, As, Sb, Bi}, and Z={S, Se, Te}. The compositions for these materials were predicted through a search…
Ultrawide-band-gap (UWBG) semiconductors are promising for fast, compact, and energy-efficient power-electronics devices. Their wider band gaps result in higher breakdown electric fields that enable high-power switching with a lower energy…
Oxidation of two-dimensional (2D) layered materials has proven advantageous in creating oxide/2D material heterostructures, opening the door for a new paradigm of low-power electronic devices. Gallium (II) sulfide ($\beta$-GaS), a hexagonal…
The wurtzite III-Nitrides family of semiconductors, which include the compounds GaN, InN, and AlN, along with their derivative ternary alloys, is highly priced for its wide range of bandgaps, lattice constant tunability, high breakdown…
The lattice thermal conductivity ({\kappa}{\omega}) is a key property for many potential applications of compounds. Discovery of materials with very low or high {\kappa}{\omega} remains an experimental challenge due to high costs and…
Discovery of high-temperature superconductivity in hydrogen-rich compounds has fuelled the enthusiasm for finding materials with more promising superconducting properties among hydrides. However, the ultrahigh pressure needed to synthesize…
A high-throughput screening based on first-principles calculations was performed to search for new ternary inorganic electrides. From the available materials database, we identified three new thermodynamically stable materials…
Gallium oxide (Ga2O3) is a wide-band-gap semiconductor promising for UV sensors and high power transistor applications, with Baliga's figure of merit that far exceeds those of GaN and SiC, second only to diamond. Engineering its band…
Wire grid polarizers (WGPs), periodic nano-optical meta-surfaces, are convenient polarizing elements for many optical applications. However, they are still inadequate in the deep ultraviolet spectral range. We show that to achieve high…
beta-Ga2O3 is a wide bandgap semiconductor with electrical properties better than SiC and GaN which makes it promising for applications of next-generation power devices. However, the thermal conductivity of \b{eta}-Ga2O3 is more than one…
It is anticipated that wide-bandgap semiconductors (WBGSs) would be useful materials for energy production and storage. A well-synthesized, yet, scarcely explored diamond-like quaternary semiconductor-Li$_2$ZnGeS$_4$ has been considered for…
The increasing demand for high-voltage and high-power electronic applications has intensified the search for novel ultrawide bandgap (UWB) semiconductors. Alkaline earth stannates possess wide band gaps and exhibit the highest…
Composite oxides have been indeed proved to be valuable materials in optoelectronic applications. The combination of indium oxide and gallium oxide and other materials can lead to enhanced optical and electronic properties, making them…
Conventional semiconductors typically have bonding states near the valence band maximum (VBM) and antibonding states near the conduction band minimum (CBM). Semiconductors with the opposite electronic configuration, namely an antibonding…
The electronic properties of lanthanide (from Eu to Tm) impurities in wurtzite gallium nitride and zinc oxide were investigated by first principles calculations, using an all electron methodology plus a Hubbard potential correction. The…
In the present work, we performed calculations of the lattice thermal conductivity (LTC) and electron-phonon interactions in crystalline and amorphous gallium oxide. The calculations were performed by coupling a machine-learned interatomic…
Wide and ultra-wide band gap semiconductors can provide excellent performance due to their high energy band gap, which leads to breakdown electric fields that are more than an order of magnitude higher than conventional silicon electronics.…
Oxides containing metals or metalloids from the {\it p}-block of the periodic table ({\it e.g.}, In, Sn, Sb, Pb, Bi) are of technological interest as transparent conductors and light absorbers for solar energy conversion due to the…
GaN is a wide-bandgap semiconductor used in high-efficiency LEDs and solar cells. The solid is produced industrially at high chemical purities by deposition from a vapour phase, and oxygen may be included at this stage. Oxidation represents…
Using machine learning (ML) approach, we unearthed a new III-V semiconducting material having an optimal bandgap for high efficient photovoltaics with the chemical composition of Gallium-Boron-Phosphide(GaBP$_2$, space group: Pna2$_1$). ML…