Related papers: Layer-resolved band bending at the n-SrTiO3(001)/p…
Photocatalytic water splitting is a promising strategy for large-scale clean energy production. However, efficient and low-cost solid-state photocatalysts are still lacking. We present here first-principles calculations to investigate the…
Due to the lack of effective p-type doping in GaN and the adverse effects of surface band-bending of GaN on electron transport, developing practical GaN heterojunction bipolar transistors has been impossible. The recently demonstrated…
Iron chalcogenide superconductors are multi-band systems with strong electron correlations. Here we use angle-resolved photoemission spectroscopy to study band dependent correlation effects in single-layer FeSe/Nb:BaTiO3/KTaO3, a new iron…
The discovery that the interface between two band gap insulators LaAlO3 and SrTiO3 is highly conducting has raised an enormous interest in the field of oxide electronics. The LAlO3/SrTiO3 interface can be tuned using an electric field and…
First principles calculations were performed to study the ground state electronic properties of BaFeO3 (BFO) within the density functional theory (DFT). Adopting generalized gradient approximation (GGA) exchange and correlation functional…
Single layer Pb on top of (111) surfaces of group IV semiconductors hosts charge density wave and superconductivity depending on the coverage and on the substrate. These systems are normally considered to be experimental realizations of…
Hybrid heterostructures based on bulk GaN and two-dimensional (2D) materials offer novel paths toward nanoelectronic devices with engineered features. Here, we study the electronic properties of a mixed-dimensional heterostructure composed…
Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at…
We investigate the structural, electronic, transport, and thermoelectric properties of LaNiO$_3$/SrTiO$_3(001)$ superlattices containing either exclusively $n$- or $p$-type interfaces or coupled interfaces of opposite polarity by using…
Hydrogen is one of the most promising candidates for clean energy production. Photoelectrochemical devices look promising for the decomposition of the water molecule into 2H$_2$ + O$_2$. Oxynitrides, like the solid solution…
BiVO3F is a promising material used in solar energy conversion systems. Here, we first report the calculated structural, electronic, and surface reaction properties using PBE and hybrid density functionals. We found it is a direct band gap…
We use time- and angle-resolved photoemission spectroscopy (TR-ARPES) combined with density functional theory to investigate ultrafast carrier dynamics in low-symmetry layered semiconducting PdSe$_2$. The indirect bandgap is determined to…
SrTiO3 has attracted considerable interest as a wide-band gap semiconductor for advanced high-k capacitors and photocatalytic applications. Although previous angle-resolved photoemission spectroscopy (ARPES) studies have characterized the…
Nowadays it has become feasible to perform angle-resolved photoemission spectroscopy (ARPES) measurements of transition-metal oxides with three-dimensional perovskite structures owing to the availability of high-quality single crystals of…
We have spectroscopically determined the band offsets at epitaxial interfaces of BaSnO3 with SrTiO3(001) and LaAlO3(001). The conduction band minimum is lower in electron energy in the BaSnO3 than in the SrTiO3 and LaAlO3 by 0.6 +/- 0.1 eV…
We determine the surface reconstruction of SrTiO3 used to achieve superconducting FeSe films in experiments, which is different from the 1x1 TiO2 terminated SrTiO3 assumed by most previous theoretical studies. In particular, we identify the…
SrRuO3 (SRO), a conducting transition metal oxide, is commonly used for engineering domains in BiFeO3. New oxide devices can be envisioned by integrating SRO with an oxide semiconductor as Nb doped SrTiO3 (Nb:STO). Using a three-terminal…
The two-dimensional electron gas (2DEG) found in KTaO3-based interfaces has garnered attention due to its remarkable electronic properties. In this study, we investigated the conducting system embedded at the Si3N4/Al//KTO(110)…
The $t_{2g}$ band-structure of SrTiO$_3$-based two-dimensional electron gasses (2DEGs), have been found to play a role in features such as the superconducting dome, high-mobility transport, and the magnitude of spin-orbit coupling. This…
We demonstrate fabrication of atomically sharp interfaces between nitride antiperovskite Mn$_{3}$GaN and oxide perovskites (La$_{0.3}$Sr$_{0.7}$)(Al$_{0.65}$Ta$_{0.35}$)O$_{3}$ (LSAT) and SrTiO$_{3}$ as paradigms of…