Related papers: Fermi surface effects in solid-solid phase transit…
We present angle-resolved photoemission spectroscopy of Eu(1-x)Gd(x)O through the ferromagnetic metal-insulator transition. In the ferromagnetic phase, we observe Fermi surface pockets at the Brillouin zone boundary, consistent with density…
We numerically study the dynamical properties of a mixture consisting of a dipolar condensate and a degenerate Fermi gas in a quasi-one-dimensional geometry. In particular, we focus on the system's response to a temporal variation in the…
This paper reports a study of the influence of the step at a silicon surface under an uniaxial tensile stress, using an empirical potential. Our aim was to find conditions leading to nucleation of dislocations from the step. We obtained…
We study mass-imbalanced two-component Fermi mixtures, where one of the components consists of dipolar fermions. We specifically study the mass imbalances corresponding to the atomic ${}^{163}$Dy-${}^{40}$K and ${}^{53}$Cr-${}^{6}$Li…
Under the framework of the semiclassical theory, we investigate the equilibrium-state properties of a spin polarized dipolar Fermi gas through full numerical calculation. We show that the Fermi surfaces in both real and momentum spaces are…
Understanding how electronic structure determines the reactivity of solid surface, is a central topic of modern surface science. This is mostly commonly done through some intermediate quantity termed descriptor. However, such descriptors…
We present molecular dynamics simulations of solid NaNO$_2$ using pair potentials with the rigid-ion model. The crystal potential surface is calculated by using an \emph{a priori} method which integrates the \emph{ab initio} calculations…
A wide variety of complex phases in quantum materials are driven by electron-electron interactions, which are enhanced through density of states peaks. A well known example occurs at van Hove singularities where the Fermi surface undergoes…
Using density functional theory, we determine parameters of tight-binding Hamiltonians for a variety of Fabre charge transfer salts, focusing in particular on the effects of temperature and pressure. Besides relying on previously published…
We compute the thermodynamic phase diagram of seventeen elemental metals with hexagonal close-packed (hcp), face-centered cubic (fcc), and body-centered cubic (bcc) crystal structures using finite-temperature density functional theory.…
The pressure-induced structural phase transition in the intermediate-valence compound CeNi has been investigated by X-ray and neutron powder diffraction techniques. For the first time it is shown that the structure of the pressure-induced…
The steady sliding state of periodic structures such as charge density waves and flux line lattices is numerically studied based on two and three dimensional driven random field XY models. We focus on the dynamical phase transition between…
The electronic structure of NaFeAs is studied with angle resolved photoemission spectroscopy on high quality single crystals. Large portions of the band structure start to shift around the structural transition temperature, and smoothly…
How ground states of quantum matter transform between one another reveals deep insights into the mechanisms stabilizing them. Correspondingly, quantum phase transitions are explored in numerous materials classes, with heavy fermion…
The high-pressure phase of La(O,F)BiS$_{\mathrm{2}}$ exhibits the highest transition temperature among all the BiS$_{\mathrm{2}}$-based superconductors. Various studies, such as investigation of isotope effects, have been conducted to…
We investigate the pressure-temperature ($p$-$T$) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and density functional theory (DFT). At zero temperature, beyond…
The model of two electrons with Coulomb interaction on a two-dimensional (2D) disordered lattice is considered. It is shown that the interaction can give a sharp transition to delocalized states in a way similar to the Anderson transition…
A two dimensional electronic system, where the Fermi surface is close to a Van Hove singularity, shows a variety of weak coupling instabilities, and it is a convenient model to study the interplay between antiferromagnetism and anisotropic…
In this paper, we briefly present our work on the role of transition-metal element in electronic structure and transport properties of quasicrystals and related complex phases. Several Parts of these works have been done or initiated in…
Our recent modelling works and corresponding numerical simulations realized to describe the UO2 oxidation processes confirm the theory showing that an applied mechanical strain can strongly affect the local oxygen diffusion in a stressed…