Related papers: Potassium-intercalated bulk HfS$_2$ and HfSe$_2$: …
The geometrical and electronic structure of tripotassium doped phenanthrene, \ce{K3C14H10}, have been studied by first-principles density functional theory. The main effect of potassium doping is to inject charge in the narrow phenanthrene…
Quantum phenomena emerging from the interaction of light and matter in low-dimensional systems hold great potential for future quantum technologies. Here, using first-principles calculations incorporating non-local van der Waals…
Using ab-initio calculations within the framework of Density Functional Theory (DFT), atomic structures and electronic properties of MoS2/HfO2 interface are investigated. The impact of interfacial oxygen concentration on the MoS2/HfO2…
The field and temperature dependencies of the longitudinal and Hall resistivity have been studied for high-quality FeSe${}_{1-x}$S${}_{x}$ (x up to 0.14) single crystals. Quasiclassical analysis of the obtained data indicates a strong…
Half-metals have fully spin polarized charge carriers at the Fermi surface. Such polarization usually occurs due to strong electron--electron correlations. Recently [Phys. Rev. Lett. {\bf{119}}, 107601 (2017)], we have demonstrated…
We report extensive all-electron time-dependent density-functional calculations and nonresonant inelastic x-ray scattering measurements of the dynamical structure factor of 3d transition metals. For small wave vectors, a plasmon peak is…
The spectral properties, momentum dispersion, and broadening of bulk plasmonic excitations of 26 elemental metals are studied from first principles calculations in the random-phase approximation. Spectral band structures are constructed…
We study theoretically the phase diagram of strongly coupled two-dimensional Bose-Fermi mixtures interacting with attractive short-range potentials as a function of the particle densities. We focus on the limit where the size of the bound…
Studies of different experimental groups that explore the properties of a two-dimensional electron gas in silicon semiconductor systems ((100) Si metal-oxide-semiconductor field-effect transistors (MOSFETs) and (100) SiGe/Si/SiGe quantum…
Interplay of superconductivity and density wave orders has been at the forefront of research of correlated electronic phases for a long time. 2H-NbSe$_2$ is considered to be a prototype system for studying this interplay, where the balance…
57Fe-Mossbauer spectra of superconducting beta-FeSe, the Li/NH3 intercalate product and a subsequent sample of this intercalate treated with moist He gas have been measured in temperature range 4.7 - 290 K. A correlation is established…
By means of hybrid multi-particle collsion--particle-in-cell (MPC-PIC) simulations we study the dynamical scaling of energy and density correlations at equilibrium in moderately coupled 2D and quasi 1D plasmas. We find that the predictions…
Plasmonic crystals are well known to have band structure including a bandgap, enabling the control of surface plasmon propagation and confinement. The band dispersion relation of bulk crystals has been generally measured by…
An experimental study of the electronic structure of copper intercalated titanium dichalcogenides in a wide range of copper concentrations (x = 0.05 - 0.6) using the x-rays photoemission spectroscopy, resonant photoemission and x-rays…
This study investigates the ground-state energetics and thermodynamics of intrinsic point defects in zinc phosphide Zn$_3$P$_2$ using \emph{ab initio} density functional theory combined with an extensive potential energy landscape search.…
Collisions of metastable antiprotonic helium atoms with atoms of the medium induce, among other processes, transitions between hyperfine structure (HFS) states, as well as shifts and broadening of microwave M1 spectral lines. In order to…
The transition metal dichalcogenides 1T-TaS$_2$ and 1T-TaSe$_2$ have been extensively studied for the complicated correlated electronic properties. The origin of different surface electronic states remains controversial. We apply scanning…
The mesoscopic fluctuations of the Density of electronic States (DoS) and of the conductivity of two- and three- dimensional lattices with randomly distributed substitutional impurities are studied. Correlations of the levels lying above…
In the prevalent picture of ultrafast structural phase transitions, the atomic motion occurs in a slowly varying potential energy surface determined adiabatically by the fast electrons. However, this ignores non-conservative forces caused…
X-ray and electron diffraction measurements on the metal-insulator (M-I) transition compound PrRu$_4$P$_{12}$ have revealed the emergence of a periodic ordering of charge density around the Pr atoms. It is found that the ordering is…