Related papers: Two-dimensional conducting layer on SrTiO$_{3}$ su…
The interaction of water with oxide surfaces is of great interest for both fundamental science and applications. We present a combined theoretical [density functional theory (DFT)] and experimental [Scanning Tunneling Microscopy (STM),…
Hydrogen-rich materials offer a compelling avenue towards room temperature superconductivity, albeit under ultra-high pressure. However, the experimental investigation of the electronic band structure remains elusive, due to the inherent…
Motivated by the transmission of topological surface states through atomic scale steps, we study the transport of gapless Dirac fermions on hyperbolic surfaces. We confirm that, independent of the curvature of the hyperbolae and the…
Accumulation layers with very large concentrations of electrons where many subbands are filled became recently available due to ionic liquid and other new methods of gating. The low temperature mobility in such layers is limited by the…
The interaction of hydrogen with many transition metal surfaces is characterized by a coexistence of activated with non-activated paths to adsorption with a broad distribution of barrier heights. By performing six-dimensional quantum…
Hydrogen, the smallest and most abundant element in nature, can be efficiently incorporated within a solid and drastically modify its electronic state - it has been known to induce novel magnetoelectric effects in complex perovskites and…
In this paper we show that the ionic conduction through surface chemisorbed ambient moisture leads to the remarkably high room temperature selective response towards hydrogen gas. The surface adsorbed moisture acts as surface states and…
Perovskite SrTiO3 (STO) is an attractive photocatalyst for solar water splitting, but suffers from a limited photoresponse in the ultraviolet spectral range due to its wide band gap. By means of hybrid density functional theory…
Topological insulators have been extended to higher-order versions that possess topological hinge or corner states in lower dimensions. However, their robustness against disorder is still unclear. Here, we theoretically investigate the…
SrTiO3 (STO), a promising wide-bandgap semiconductor for high-k capacitors and photocatalysis, requires precise surface control for device fabrication. This study investigates the impact of ion milling on STO's surface conductivity. We find…
Recent angle-resolved photoemission experiments have observed a proximity-induced superconducting gap in the helical surface states of a thin film of the 3D topological insulator Bi$_2$Se$_3$ grown on a superconducting NbSe$_2$ substrate.…
Motivated by the presence of an extremely small electron pocket in the electronic band structure of infinite-layer (IL) nickelate superconductors, we systematically explore the superconducting (SC) properties of a two-dimensional Hubbard…
A comprehensive phase diagram of lowest-energy structures and compositions of the rutile TiO_2(110) surface in equilibrium with a surrounding gas phase at finite temperatures and pressures has been determined using density functional theory…
We explore the superconducting phase diagram of the two-dimensional electron system at the LaAlO3/SrTiO3 interface by monitoring the frequencies of the cavity modes of a coplanar waveguide resonator fabricated in the interface itself. We…
We report on systematic study of transport properties of a 1000-nm HgTe film. Unlike to thinner and strained HgTe films, which are known as high-quality three-dimensional (3D) topological insulators, the film under study is much thicker…
Density Functional Theory calculations are used to investigate the role of substrate-induced cooperative effects on the adsorption of water on a partially oxidized transition metal surface, O(2x2)/Ru(0001). Focussing particularly on the…
We use epitaxial strain to shift the energy of the two-dimensional Ag(111) surface states of Ag islands on Nb(110) substrates, allowing to spatially tune the bottom of the surface-state band $E_{\rm SS}$ through the Fermi level $E_{\rm F}$.…
Vapor growth of semiconductors is analyzed using recently obtained dependence of the adsorption energy on the electron charge transfer between the surface adsorbed species and the bulk [Krukowski et al. J. Appl. Phys. 114 (2013) 063507,…
We apply both analytical and ab-initio methods to explore heterostructures composed of a threedimensional topological insulator (3D TI) and an ultrathin normal insulator (NI) overlayer as a proof ground for the principles of the topological…
In an ideal 3D topological insulator (TI), the bulk is insulating and the surface conducting due to the existence of metallic states that are localized on the surface; these are the topological surface states. Quaternary Bi-based compounds…