Related papers: Atomically resolved electron reflectivity at a met…
We present the electronic band structure of the interfaces $YBa_2Cu_3O_7/GaAs$ (direct gap) and $YBa_2Cu_3O_7/AlAs$ (indirect gap) in different configurations calculated using the Density Functional Theory as in the Wien2k code within the…
The motivation of this work is our recent observation of the robustness of superconductivity in a High-entropy (HE) superconductor Ag0.2In0.2Sn0.2Pb0.2Bi0.2Te (CsCl-type) to external pressure. The superconducting transition temperature (Tc)…
Complete suppression of the native n-type Schottky barrier is demonstrated in Al/InGaAs(001) junctions grown by molecular-beam-epitaxy. This result was achieved by the insertion of Si bilayers at the metal-semiconductor interface allowing…
Charge transfer in oxide heterostructures can be tuned to promote emergent interfacial states, and accordingly, has been the subject of intense study in recent years. However, accessing the physics at these interfaces, which are often…
The occupation of d-orbitals controls the magnitude and anisotropy of the inter-atomic electron transfer in transition metal oxides and hence exerts a key influence on their chemical bonding and physical properties. Atomic-scale modulations…
Accurate quantum mechanics based predictions of property trends are so important for materials design and discovery that even inexpensive approximate methods are valuable. We use the Alchemical Integral Transform (AIT) to study…
Scanning tunneling microscopy (STM) provides real-space electronic state information at the atomic scale that is most commonly used to study materials surfaces. An intriguing extension of the method is attempt to study the electronic…
Nearly localized moire flat bands in momentum space, arising at particular twist angles, are the key to achieve correlated effects in transition-metal dichalcogenides. Here, we use angle-resolved photoemission spectroscopy (ARPES) to…
In simulations of metallic interfaces, a critical aspect of metallic behavior is missing from the some of the most widely used classical molecular dynamics force fields. We present a modification of the embedded atom method (EAM) which…
Oxide electronics provide the key concepts and materials for enhancing silicon-based semiconductor technologies with novel functionalities. However, a basic but key property of semiconductor devices still needs to be unveiled in its oxidic…
The bands of graphite are extremely sensitive to topological defects which modify the electronic structure. In this paper we found non-dispersive flat bands no farther than 10 meV of the Fermi energy in slightly twisted bilayer graphene as…
The incidence of very low energy electrons on metal surfaces is mainly dictated by the phenomenon of quantum mechanical reflection at the metal interface. Low energy electron reflection is insignificant in higher energy regimes, where the…
We performed angle resolved photoelectron spectroscopy (ARPES) studies on mechanically detwinned BaFe2As2. We observe clear band dispersions and the shapes and characters of the Fermi surfaces are identified. Shapes of the two hole pockets…
Metal chalcogenide is a promising material for studying novel underlying physical phenomena and nanoelectronics applications. Here, we systematically investigate the crystal structure and electronic properties of the AlSe surface alloy on…
Femtosecond dynamics of coherent optical phonons in GeTe/Sb$_{2}$Te$_{3}$ superlattices (SLs), a new class of semiconductor SLs with three different states, have been investigated by using a reflection-type pump-probe technique at various…
Characterizing long-range electric fields and built-in potentials in functional materials at nano- to micrometer scales is of supreme importance for optimizing devices. E.g., the functionality of semiconductor heterostructures or battery…
The calculation of the equilibrium optical properties of bulk silicon by using the Bethe--Salpeter equation solved in the Kohn--Sham basis represents a cornerstone in the development of an ab--initio approach to the optical and electronic…
Knowledge of atomic-level details of structure, chemistry, and electronic states is paramount for a comprehensive understanding of emergent properties at oxide interfaces. We utilise a novel methodology based on atomic-scale electron energy…
The contact resistance between two dissimilar semiconductors is determined by the carrier transmission through their interface. Despite the ubiquitous presence of interfaces, quantitative simulation of charge transport across such…
Modeling semicoherent metal-metal interfaces has so far been performed using atomistic simulations based on semiempirical interatomic potentials. We demonstrate through more precise ab-initio calculations that key conclusions drawn from…