Related papers: Anisotropic dielectric functions, band-to-band tra…
The topology of the band structure, which is determined by the lattice symmetries, has a strong influence on the transport properties. Here we consider an anisotropic honeycomb lattice and study the effect of a continuously deformed band…
Thermal properties of solid-state materials are a fundamental topic of study with important practical implications. For example, anisotropic displacement parameters (ADPs) are routinely used in physics, chemistry, and crystallography to…
ReSe2 and ReS2 are unusual compounds amongst the layered transition metal dichalcogenides as a result of their low symmetry, with a characteristic in-plane anisotropy due to in-plane rhenium chains. They preserve inversion symmetry…
Understanding charge transfer at oxide interfaces is crucial for designing materials with emergent electronic and magnetic properties, especially in systems where strong electron correlations and spin-orbit coupling coexist.…
We show that the electron-phonon coupling strength obtained from the slopes of the electronic energy vs. wavevector dispersion relations, as often done in analyzing angle-resolved photoemission data, can differ substantially from the actual…
Mn$_{3-x}$Co$_{x}$Ga epitaxial thin films were grown on MgO substrates by magnetron co-sputtering. Structures were tetragonal or cubic depending on Co content. Composition dependence of saturation magnetization and uniaxial magnetic…
The dielectric properties of alpha-MgH2 are investigated in the photon energy range between 1 and 6.5 eV. For this purpose, a novel sample configuration and experimental setup are developed that allow both optical transmission and…
We report the results of a comprehensive spectroscopic ellipsometry study of NaCu2O2, a compound composed of chains of edge-sharing Cu2+O4 plaquettes and planes of Cu1+ ions in a O-Cu1+-O dumbbell configuration, in the spectral range…
Temperature dependent impedance spectroscopy enables the many contributions to the dielectric and resistive properties of condensed matter to be deconvoluted and characterized separately. We have achieved this for multiferroic epitaxial…
The interaction of a femtosecond optical pulse with a Fe$_{1}$/(MgO)$_{3}$(001) metal/oxide heterostructure is investigated using time-dependent density functional theory (TDDFT) calculations in the real-time domain. We systematically study…
The ability to directly observe electronic band structure in modern nanoscale field-effect devices could transform understanding of their physics and function. One could, for example, visualize local changes in the electrical and chemical…
Density functional theory (DFT) and many body perturbation theory at the G$_0$W$_0$ level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene surface. Analysis of charge density difference shows the…
Polarization dependent x-ray absorption spectroscopy was used to study the magnetic ground state and the orbital occupation in bulk-phase VI$_3$ van der Waals crystals below and above the ferromagnetic and structural transitions. X-ray…
In this study, using the density functional theory, we have investigated the bulk physical properties like structural, electronic band structure, elastic properties, thermal properties, optical properties and bonding features of AlPO4…
In-plane optical anisotropy has been detected from monolayer MoS$_2$ grown on a-plane (11-20) sapphire substrate in the ultraviolet-visible wavelength range. Based on the measured optical anisotropy, the energy differences between the…
The nonlinear optical properties and electro-optic effects of some oxygen-octahedric ferroelectrics are studied by the density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle…
A combination of out-of-plane and in-plane magnetoconductance (MC) study in topological insulators (TI) is often used as an experimental technique to probe weak anti-localization (WAL) response of the topological surface states (TSSs).…
We performed density functional theory (DFT) calculations for a bi-layered heterostructure combining a graphene layer with a MoS2 layer with and without intercalated Li atoms. Our calculations demonstrate the importance of the van der Waals…
Semi-metallic graphene and semiconducting monolayer transition metal dichalcogenides (TMDCs) are the two-dimensional (2D) materials most intensively studied in recent years. Recently, black phosphorus emerged as a promising new 2D material…
Using reflective cross-polarized 2D THz time-domain spectroscopy in the range of 1-12 THz, we follow the trajectory of the out-of-equilibrium electron population in the low-bandgap semiconductor InSb. The 2D THz spectra show a set of…