相关论文: Piezoelectric properties of substitutionally doped…
The compounds exhibit piezoelectricity, which demands to break inversion symmetry, and then to be a semiconductor. For $\mathrm{Ga_2O_3}$, the orthorhombic case ($\epsilon$-$\mathrm{Ga_2O_3}$) of common five phases breaks inversion…
We have stabilized the {\alpha}-Fe1.6Ga0.4O3 (Ga doped {\alpha}-Fe2O3) system in rhombohedral structure. The system has shown magnetically canted ferromagnetic state and ferroelectric properties at room temperature. In first time, we…
The search for new wide band gap materials is intensifying to satisfy the need for more advanced and energy efficient power electronic devices. Ga$_2$O$_3$ has emerged as an alternative to SiC and GaN, sparking a renewed interest in its…
The $\beta$-Ga$_2$O$_3$ has exceptional electronic properties with vast potential in power and RF electronics. Despite the excellent demonstrations of high-performance unipolar devices, the lack of p-type doping in $\beta$-Ga$_2$O$_3$ has…
Using first-principles calculations, we report structural and electronic properties of CO, NO$_2$, and NO molecular adsorption on $\beta$-In$_2$Se$_3$ in comparison to a previous study on alpha-phase. Analysis and comparison of adsorption…
Lead-free materials based on the $\text{(Ba,Ca)(Zr,Ti)O}_{3}$ (BCZT) system exhibit excellent electromechanical properties that can be strongly modified by small amounts of dopants. Here, we use a high throughput strategy to unravel the…
The search for a two-dimensional material that simultaneously fulfills some properties for its use in spintronics and optoelectronics, i.e., a suitable bandgap with high in-plane carrier mobility and good environmental stability, is the…
We study the electronic and local structural properties of pure and In-substituted $\beta$-Ga$_2$O$_3$ using density functional theory (DFT). Our main result is that the structural energetics of In in Ga$_2$O$_3$ causes most sites to be…
Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_3$-PbTiO$_3$ perovskite-based crystals attract considerable scientific interest due to their interesting properties and possible use in piezoelectricity and photovoltaics. To understand the local structure and…
Defect engineering is an effective and powerful tool to control existing material properties and create completely new ones, which are symmetry-forbidden in a defect-free crystal. This letter reports on the creation of piezoelectrically…
We have developed a new magnetoelectric material based on Ga doped {\alpha}-Fe2O3 in rhombohedral phase. The material is a canted ferromagnet at room temperature and showing magneto-electric properties. The experimental results of electric…
${\beta}$-Ga${_2}$O${_3}$ based semiconductor devices are expected to have significantly improved high-power and high-temperature performance due to its ultra-wide bandgap of close to 5 eV. However, the high-temperature operation of these…
FeGa$_3$ is an unusual intermetallic semiconductor that presents intriguing magnetic responses to the tuning of its electronic properties. When doped with Ge, the system evolves from diamagnetic to paramagnetic to ferromagnetic ground…
(Ba,Ca)TiO$_3$ and Ba(Ti,Zr)O$_3$ solid solutions are the building blocks of lead-free piezoelectric materials that attract a renewed interest. We investigate the properties of these systems by means of first-principles calculations, with a…
This study presents investigations of Yb-doped $\beta$-Ga$_2$O$_3$, an ultrawide bandgap semiconductor with potential use in future power and optoelectronic devices operating in high-radiation environments. The research has focused on the…
Finding suitable p-type dopants, as well as reliable doping and characterization methods for the emerging wide bandgap semiconductor $\beta$-$Ga_2O_3$ could strongly influence and contribute to the development of the next generation of…
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…
Ulta-wide bandgap semiconductors based on $\beta$-Ga$_2$O$_3$ offer the potential to achieve higher power switching performance, efficiency, and lower manufacturing cost than today's wide bandgap power semiconductors. However, the most…
Thermoelectric materials allow the direct conversion of waste heat into electricity, and novel materials are being investigated for this purpose. Recently, doped Bi$_2$O$_2$Se has shown high application potential. In this study, we discuss…
$\beta$-Ga$_2$O$_3$ is a next-generation ultra wide bandgap semiconductor (E$_g$ = 4.8 eV to 4.9 eV) that can be homoepitaxially grown on commercial substrates, enabling next-generation power electronic devices among other important…