相关论文: Layer-resolved band bending at the n-SrTiO3(001)/p…
The spinel/perovskite heterointerface $\gamma$-Al$_2$O$_3$/SrTiO$_3$ hosts a two-dimensional electron system (2DES) with electron mobilities exceeding those in its all-perovskite counterpart LaAlO$_3$/SrTiO$_3$ by more than an order of…
A theory of heterostructures comprised of LaTiO$_3$ (a Mott insulator) and SrTiO$_3$ (a band insulator) is presented. The band structure of the Ti $d$% -electrons is treated with a nearest neighbor tight-binding approximation; the electric…
Solar cells based on a light absorbing layer of the organometal halide perovskite CH$_3$NH$_3$PbI$_3$ have recently reached 15% conversion efficiency, though how these materials work remains largely unknown. We analyse the electronic…
Semiconductor heterojunctions are foundational to many advanced electronic and optoelectronic devices. However, achieving high-quality, lattice-mismatched interfaces remains challenging, limiting both scalability and device performance.…
We study the decay of interface induced structural and electronic relaxation effects in epitaxial LaAlO3/SrTiO3 heterostructures. The results are based on first-principles band structure calculations for a multilayer configuration with an…
Direct observations using scanning transmission electron microscopy unveil an intriguing interfacial bi-layer that enables epitaxial growth of a strain-free, monoclinic, bronze-phase VO2(B) thin film on a perovskite SrTiO3 (STO) substrate.…
Supercells are often used in ab initio calculations to model compound alloys, surfaces and defects. One of the main challenges of supercell electronic structure calculations is to recover the Bloch character of electronic eigenstates…
Two-dimensional tin halide perovskites provide a highly tunable platform for exciton phonon coupling and local lattice distortions, enabled by their intrinsically soft lattice. We report a combined temperature and pressure dependent…
We report the demonstration of high-performance top-gated metal-oxide-semiconductor field-effect transistors (MOSFETs) based on the ultra-wide bandgap perovskite oxide SrSnO$_3$ (SSO). Using hybrid molecular beam epitaxy-grown SSO channels…
Angle-resolved photoelectron spectroscopy is used for a detailed study of the electronic structure of the topological insulator Bi2Se3. Nominally stoichiometric and calcium-doped samples were investigated. The pristine surface shows the…
We investigate theoretically the PbTe/PbSnTe heterostructure grown in [111] direction, specifically a quantum wall (potential step of width d) of PbTe embedded in Pb_{1-x}Sn_{x}Te. For x large enough to lead to band inversion, and for large…
Semiconductor heterostructures are backbones for solid state based optoelectronic devices. Recent advances in assembly techniques for van der Waals heterostructures has enabled the band engineering of semiconductor heterojunctions for…
Hexagonal SiGe is a promising material for combining electronic and photonic technologies. In this work, the energetic, structural, elastic and electronic properties of the hexagonal polytypes (2$H$, 4$H$ and 6$H$) of silicon and germanium…
Cuprous oxide has been conceived as a potential alternative to traditional organic hole transport layers in hybrid halide perovskite-based solar cells. Device simulations predict record efficiencies using this semiconductor, but…
Recently, van der Waals heterostructure has attracted interest both theoretically and experimentally for their potential applications in photoelectronic devices, photovoltaic devices, plasmonic devices and photocatalysis. Inspired by this,…
Electronic phase separation is crucial for the fascinating macroscopic properties of the LaAlO3/SrTiO3 (LAO/STO) paradigm oxide interface, including the coexistence of superconductivity and ferromagnetism. We investigate this phenomenon…
Thin Ge layers deposited on Si(105) form a stable single-domain film structure with large terraces and rebonded-step surface termination, thus realizing an extended and ordered Ge/Si planar hetero-junction. At the coverage of four Ge…
The InSb/CdTe heterojunction structure, characterized by low effective mass and high electron mobility, exhibits interfacial energy band bending, leading to the Rashba spin-orbit coupling effect and nonreciprocal transport, which makes its…
We have investigated the electronic, vibrational, optical, thermal and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ using the first-principles calculation based on the density functional theory. It also shows…
Electroluminescence properties of epitaxially grown n-ZnO/p-GaN pn-heterojunctions are investigated as functions of applied bias and temperature. The study reveals the existence of indirect interfacial excitons at sufficiently low…