相关论文: High-Mobility Bismuth-based Transparent P-Type Oxi…
Structural and optoelectronic properties of BaThO3 cubic perovskite are calculated using all electrons full potential linearized augmented plane wave (FP-LAPW) method. Wide and direct band gap, 5.7 eV, of the compound predicts that it can…
The search for topological semimetals is mainly focused on heavy-element compounds as following the footsteps of previous research on topological insulators, with less attention on light-element materials. However, the negligible spin orbit…
We fabricated NiFe$_\textrm{2}$O$_\textrm{x}$ thin films on MgAl$_2$O$_4$(001) substrates by reactive dc magnetron co-sputtering varying the oxygen partial pressure during deposition. The fabrication of a variable material with oxygen…
High-dielectric constant and wide band gap oxides have important technological applications. The crystalline oxide polymorphs having lattice constant compatibility to silicon are particularly desirable. One recently reported candidate is…
The electronic properties of epitaxial heterojunctions consisting of the prototypical perovskite oxide semiconductor,n-SrTiO3 and the high-mobility Group IV semiconductor p-Ge have been investigated. Hard x-ray photoelectron spectroscopy…
Perovskite-inspired materials have emerged as promising candidates for both outdoor and indoor photovoltaic applications owing to their favorable optoelectronic properties and reduced toxicity. Here, we employ the experimentally realized…
High-resolution dynamic X-ray detector is crucial for time-resolved digital radiography (DR) imaging and fast 3D medical computed tomography (CT) imaging. Recently, perovskites have become promising alternatives to conventional…
Surface oxides are associated with two-level systems (TLSs) that degrade the performance of niobium-based superconducting quantum computing devices. To address this, we introduce a predictive framework for selecting metal capping layers…
Copper-doped zinc sulphide (ZnS:Cu) thin films were synthesized through pulsed laser ablation in an inert background gas on stationary and rotating substrates, and a comprehensive opto-electrical characterisation is presented. The…
Monoclinic scheelite bismuth vanadate (BiVO4) is a promising photoanode for water splitting yet the PEC performance is limited due to its relatively higher (2.4 eV) band gap. Here, we successfully decreased its the band gap to 1.72 eV by…
The development of novel functional materials in experimental labs combined with computer-based compound simulation brings the vision of materials design on a microscopic scale continuously closer to reality. For many applications interface…
Oxygen conductors and transporters are important to several consequential renewable energy technologies, including fuel cells and syngas production. Separately, monolayer transition metal dichalcogenides (TMDs) have demonstrated significant…
Bismuth has been the key element in the discovery and development of topological insulator materials. Previous theoretical studies indicated that Bi is topologically trivial and it can transform into the topological phase by alloying with…
Recently, two-dimensional boron sheets have attracted a lot of attentions owing to their structural polymorphs and outstanding properties. And, due to chemical complexity and electron deficiency of B atoms, the 2D boron sheets are easy…
Superconductivity in a novel class of layered materials, Ti-based pnictide oxides, was recently discovered. These compounds have attracted interest since they combine features of copper oxide and iron pnictide superconductors. Here the…
Based on genetic evolution algorithm, universal structure predictor USPEX assists to explore the most stable structure from Na+ substituting Ca2+ under variable concentration, for p type transparent conductive oxide application. The study…
Wide bandgap oxide semiconductors are very promising channel candidates for next-generation electronics due to their large-area manufacturing, high-quality dielectrics, low contact resistance, and low leakage current. However, the absence…
We find that layered materials composed of various oxides of cations with $s^2$ electronic configuration, $XY_2$O$_4$, $X$=In or Sc, $Y$=Ga, Zn, Al, Cd and/or Mg, exhibit isotropic electron effective mass which can be obtained via averaging…
Hybrid perovskites (CH3NH3PbI3) is one of the most promising novel materials for solar harvesting. Toxicity of lead (Pb), however, has always remained a concern. We investigated the electronic structure of complete replacement of Pb by…
The current article investigated the band structure in the presence and absence of spin-orbit coupling (SOC), examined the Z2 invariants, and investigated the detailed angle-dependent magneto-transport of up to 10 T (Tesla) and down to 2 K…