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Available simulation methods, suitable to describe solid-solid phase transitions occurring upon increasing of presssure and/or temperature, are based on empirical interatomic potentials: this restriction reduces the predictive power, and…
Accurate atomic coordinates of the room-temperature (root3xroot3)R30degree and low-temperature (3x3) phases of 1/3 ML Sn on Ge(111) have been established by grazing-incidence x-ray diffraction with synchrotron radiation. The Sn atoms are…
In recent years, a low pressure transition around P $\sim$ 3 GPa exhibited by the A$_2$B$_3$-type 3D topological insulators is attributed to an electronic topological transition (ETT) for which there is no direct evidence either from theory…
Metals exhibit nonequilibrium electron and lattice subsystems at transient times following femtosecond laser excitation. In the past four decades, various optical spectroscopy and time-resolved diffraction methods have been used to study…
Using {\it ab initio} molecular dynamics we investigate the electronic and lattice structure of $A$Fe$_2$As$_2$ ($A$=Ca, Sr, Ba) under pressure. We find that the structural phase transition (orthorhombic to tetragonal symmetry) is always…
The electron-phonon interaction is of central importance for the electrical and thermal properties of solids, and its influence on superconductivity, colossal magnetoresistance, and other many-body phenomena in correlated-electron materials…
Following semiclassical arguments by Vaidman we show, for the first time in a fully quantum mechanical way, that the phase shifts arising in the Aharonov Bohm (A-B) magnetic or electric effects can be treated as due to the electric force of…
A geometric analysis of the $sdg$ interacting boson model is performed. A coherent-state is used in terms of three types of deformation: axial quadrupole ($\beta_2$), axial hexadecapole ($\beta_4$) and triaxial ($\gamma_2$). The…
The coupling between structural, electronic and magnetic degrees of freedom across the metal-insulator transition in V2O3 makes it hard to determine the main driving mechanism behind the transition. Specifically, the role of magnetism has…
An extended elastic eigenvector approach for adatom interactions is applied to elastically isotropic substrates. The oscillating interactions between adatom monomers or dimers are caused by strain fields in the substrate. Expansive or…
In this paper we consider a class of (2+1)D schematic models with four-fermion interactions that are effectively used in studying condensed-matter systems with planar crystal structure, and especially graphene. Symmetry breaking in these…
Growing attention has been drawn in the past years to the \alpha-phase (1/3 monolayer) of Sn on Ge(111), which undergoes a transition from the low temperature (3x3) phase to the room temperature (\sqrt3 x \sqrt3)R30° one. On the basis…
While it is well established that elevated temperatures can induce surface roughening of metal surfaces, the effect of a high electric field on the atomic structure at ambient temperature has not been investigated in detail. Here we show…
We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d transition metal, noble metal and Zn atoms interacting with carbon monovacancies in graphene. We pay special…
It is shown that quantum effects play determining role in nitrogen adatom diffusion due to several different factors. This could be related to the change of the energy of the quantum states and also due to the redistribution of electrons…
Competing interactions in low-dimensional materials can produce nearly degenerate electronic and structural phases. We investigate the staircase of structural phase transitions in layered IrTe$_2$ for which a number of potential transition…
We study the topological phase transitions induced by Coulomb engineering in three triangular-lattice Hubbard models $AB_2$, $AC_3$ and $B_2C_3$, each of which consists of two types of magnetic atoms with opposite magnetic moments. The…
The changes in the electronic structure of V2O3 across the metal-insulator transition induced by temperature, doping and pressure are identified using high resolution x-ray absorption spectroscopy at the V pre K-edge. Contrary to what has…
We have investigated the intersubband transitions of surface state electrons (SSE) on liquid $^3$He induced by microwave radiation at temperatures from 1.1 K down to 0.01 K. Above 0.4 K, the transition linewidth is proportional to the…
The modification of electronic band structures and the subsequent tuning of electrical, optical, and thermal material properties is a central theme in the engineering and fundamental understanding of solid-state systems. In this scenario,…