Related papers: Surface Electronic Structures and Field Emission C…
The energies, widths, and shapes of features observed in the total energy distributions in field emission from W(100) and W(111) are compared with the results of a full-potential LAPW calculation of the surface density of states based on a…
Pressure-induced changes in the Fermi surface of Cd up to 40 GPa are studied using highly accurate density-functional theory calculations. The topology of Fermi surface changes at pressures of 2, 8, 12 , 18 and 28 GPa indicating electronic…
By quantitative low-energy electron diffraction (LEED) we investigate the extensively studied commensurate charge density wave (CDW) phase of trigonal tantalum disulphide (1T-TaS$_2$), which develops at low temperatures with a…
We evaluate the electron emission current density from jellium metallic surfaces in the Thomas-Fermi-von-Weizs\"acker approximation. We implement the weighted density approximation (WDA) for description of the exchange and correlation…
Surfaces are at the frontier of every known solid. They provide versatile supports for functional nanostructures and mediate essential physicochemical processes. Being intimately related with 2D materials, interfaces and atomically thin…
Many fundamental processes of structural changes at surfaces occur on a pico- or femtosecond time scale. In order to study such ultra-fast processes, we have combined modern surface science techniques with fs-laser pulses in a pump-probe…
The structure and electronic density of states in layered LnFeAsO$_{1-x}$F$_x$ (Ln=La,Sm; $x$=0.0, 0.125, 0.25) are investigated using density functional theory. For the $x$=0.0 system we predict a complex potential energy surface, formed…
We investigate the consequences of applying electric fields perpendicularly to thin films of topological semimetals. In particular, we consider Weyl and Dirac semimetals in a configuration such that their surface Fermi arcs lie on opposite…
A model is constructed to describe the thermal-field emission of electrons from a three-dimensional ($3$D) topological semimetal hosting Dirac/Weyl node(s). The traditional thermal-field electron emission model is generalised to accommodate…
The electronic structure, Fermi surface and elastic properties of the iso-structural and iso-electronic LaSn$_3$ and YSn$_3$ intermetallic compounds are studied under pressure within the framework of density functional theory including…
Light-induced phase transitions offer a method to dynamically modulate topological states in bulk complex materials. Yet, next-generation devices demand nanoscale architectures with contact resistances near the quantum limit and precise…
In this study used is an approach based on measurements of the total energy distribution (TED) of field emitted electrons in order to examine the properties of Pd (133) from the aspect of both hydrogen adsorption and surface hydrides…
Layered transition metal dichalcogenides (TMDs) are ideal systems for exploring the effects of dimensionality on correlated electronic phases such as charge density wave (CDW) order and superconductivity. In bulk NbSe2 a CDW sets in at TCDW…
We investigate transport through ionic liquid gated field effect transistors (FETs) based on exfoliated crystals of semiconducting WS$_2$. Upon electron accumulation, at surface densities close to -or just larger than- 10$^{14}$ cm$^{-2}$,…
In the long wavelength domain, typically for wavelengths lambda > 100 angstroms, the laser fields are usually taken as independent of the spatial coordinate. However, at the gas-solid interface the electron density of the material and the…
In the heavy fermion materials, the characteristic energy scales of many exotic strongly correlated phenomena (Kondo effect, magnetic order, superconductivity, etc.) are at milli-electron-volt order, implying that the heavy fermion…
In the last several years, there has been a wealth of studies to clarify the role of thin layers of electrocatalysts on semiconducting photoelectrodes to the efficiency of the oxygen evolution reaction (OER). It has been shown that the…
Layered transition metal dichalcogenides (TMDs) stabilize in multiple structural forms with profoundly distinct and exotic electronic phases. Interfacing different layer types is a promising route to manipulate TMDs' properties, not only as…
The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…
This article summarizes recent work on the many-body (beyond density functional theory) electronic structure of layered rare-earth nickelates, both in the context of the materials themselves and in comparison to the high-temperature…