Related papers: Piezoelectric properties of substitutionally doped…
We investigate the effects of alloying and growth orientation on the properties of the ultra-wide bandgap semiconductor \beta-Ga2O3 and pseudomorphic AlGaO alloy heterojunctions. Band offsets are computed from first principles using density…
Pb doping effect in the Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10}$ compound (Bi2223) on the structural and electronic properties were investigated, using the Local Density (LDA) and Virtual Crystal (VCA) approximations within the framework of the…
Piezoresistivity is the most commonly used sensing principle in cement-based smart composites for strain-monitoring applications. Nonetheless, the need for external electric power to conduct electrical resistivity measurements restricts the…
Ca$_{3}$Ru$_{2}$O$_{7}$ is a fascinating material that displays physical properties governed by spin-orbit interactions and structural distortions, showing a wide range of remarkable electronic phenomena. Here, we present a…
Monolayer semiconductors of group-VA elements (As, Sb, Bi) with graphenelike buckled structure offer a potential to achieve nanoscale electronic, optoelectronic and thermoelectric devices. Motivated by recently-fabricated Sb monolayer, we…
Beta-Ga2O3 is an ultra-wide bandgap semiconductor with emerging applications in power electronics. The introduction of acceptor dopants yields semi-insulating substrates necessary for thin-film devices. In the present work, exposure of…
Materials with large magnetostriction are widely used in sensors, actuators, micro electromechanical systems, and energy-harvesters. Binary Fe-Ga alloys (Galfenol) are the most promising rare-earth-free candidates combining numerous…
The tailoring of the physical properties of semiconductor nanomaterials by strain has been gaining increasing attention over the last years for a wide range of applications such as electronics, optoelectronics and photonics. The ability to…
Ba{[Gax,Tax]Ti(1-2x)}O3 ceramics with x equal to 0, 0.0025, 0.005, 0.01, 0.025 and 0.05 have been prepared by conventional solid-state reaction. Structural and dielectric characterization have been performed to investigate the effect of…
Piezoelectrics interconvert mechanical energy and electric charge and are widely used in actuators and sensors. The best performing materials are ferroelectrics at a morphotropic phase boundary (MPB), where several phases can intimately…
PbTiO$_3$ is a ferroelectric perovskite semiconductor with favourable electronic and optical properties, making it suitable for a wide range of applications, including photo-catalysis and (opto)electronic devices. Despite its relevance, an…
Recent breakthroughs in bulk crystal growth of beta-Ga2O3 by the edge-defined film-fed technique has led to the commercialization of large-area beta-Ga2O3 substrates. Standard epitaxy approaches are being utilized to develop various…
Beta-Ga2O3 has emerged as a promising candidate for electronic device applications because of its ultra-wide bandgap, high breakdown electric field, and large-area affordable substrates grown from the melt. However, its thermal conductivity…
Improvement in magnetic and electrical properties of multiferroic BiFeO$_3$ in conjunction with their dependence on particle size is crucial due to its potential applications in multifunctional miniaturized devices. In this investigation,…
The thermoelectric characteristics of lead selenium (PbSe) doped with gallium (Ga) are investigated in this study. When the lead sulfide (PbSe) is tuned with appropriate dopants, it exhibits satisfactory ZT values, hence making it a…
The recent observation of a ferroelectric-like structural transition in metallic LiOsO$_3$ has generated a flurry of interest in the properties of polar metals. Such materials are thought to be rare because free electrons screen out the…
High-temperature superconductivity emerges in the CuO$_2$ plane upon doping a Mott insulator. To ascertain the influence of Mott physics plus short-range correlations, we solve a three-band copper-oxide model in the charge-transfer regime…
Defect energy formation, lattice distortions and electronic structure of cubic In2O3 with Sn, Ga and O impurities were theoretically investigated using density functional theory. Different types of point defects, consisting of 1 to 4 atoms…
We present a first-principles study of the relationship between stress, temperature and electronic properties in piezoelectric ZnO. Our method is a plane wave pseudopotential implementation of density functional theory and density…
Since advanced Silicon-based device components are moderately chemically tunable, doped graphene has emerged as a promising candidate to replace this semiconducting material in flexible miniaturized electronic devices. Indeed, heteroatom…