Related papers: Phonon dispersions throughout the iron spin crosso…
Quest for new states of matter near an ordered phase is a promising route for making modern physics forward. By probing thermal properties of a ferroelectric (FE) crystal Ba1-xSrxAl2O4, we have clarified that low-energy excitation of…
Ab initio investigations of structural, electronic, and dynamical properties of the high-temperature $\beta$ phase of copper pyrophosphate were performed using density functional theory. The electronic band structure shows the Mott…
Thermodynamic properties of the square-lattice Holstein model of the electron-phonon problem with phonon frequencies small compared to the bare Fermi energy are obtained using Monte Carlo methods, a strong-coupling (bipolaronic) expansion,…
PbTe crystals have a soft transverse optical phonon mode in the terahertz frequency range, which is known to efficiently decay into heat-carrying acoustic phonons, resulting in anomalously low thermal conductivity. Here, we studied this…
FeO (w\"ustite), which exhibits complex electronic and structural properties with increasing pressure and temperature, is a key mineralogical phase for understanding deep planetary interiors. However, direct measurements of its spin state…
Parent compounds of Fe-based superconductors undergo a structural phase transition from a tetragonal to an orthorhombic structure. We investigated the temperature dependence of the frequencies of transverse acoustic (TA) phonons that…
The combination of spin transitions and magnetic ordering provides an interesting structure of phase transitions in Prussian blue analogues (PBAs). To understand the structure of stable and metastable states of Co-Fe PBA, it is necessary to…
Neutron scattering measurements of the lowest-energy TO phonons in the relaxor Pb(Mg1/3Nb2/3)O3 (PMN) are reported for 10<=T<=750 K. The soft mode, which is overdamped by the polar nanoregions below the Burns temperature T_d = 620 K,…
X-ray diffraction pressure studies at room temperature demonstrate that the spinel FeAl$_{2}$O$_{4}$ transforms to a tetragonal phase at ~18 GPa. This tetragonal phase has a highly irregular unit-cell volume versus pressure dependence up to…
We review the search for a mediator of high-Tc superconductivity focusing on ARPES experiment. In case of HTSC cuprates, we summarize and discuss a consistent view of electronic interactions that provides natural explanation of both the…
A condensate of pairs in an isolated, homogeneous, unpolarised, finite-size spin 1/2 Fermi gas at low nonzero temperature T, undergoes with time a phase change with a random component, due to coupling to the gas thermal phonons. With the…
We perform density functional calculations of the equilibrium 57Fe/54Fe ratios for ferrous iron dissolved in periclase and MgSiO3 perovskite at the pressures and temperatures of the Earth's mantle. Pressure increases the partitioning of…
Understanding the mechanism of structural phase transitions in rare-earth elements is a fundamental challenge in condensed matter physics, with significant implications for materials science applications. In this study, we present a…
To understand the pressure-induced changes in the electronic structure and the electron-phonon interaction in yttrium, we have studied hexagonal close-packed (hcp) yttrium, stable at ambient pressure and double hexagonal close-packed (dhcp)…
Magnetic refrigeration can provide an environmentally friendly technology to reduce significantly the energy consumption of cooling devices. To retain the sustainability of the device, all parts must be made from abundant materials,…
Spin-phonon coupling effects, as reflected in phonon frequency shifts between ferromagnetic (FM) and G-type antiferromagnetic (AFM) configurations in cubic CaMnO$_3$, SrMnO$_3$, BaMnO$_3$, LaCrO$_3$, LaFeO$_3$ and La$_2$(CrFe)O$_6$, are…
The recent discovery of superconductivity in hexagonal iron under pressure poses a question about whether it is of conventional (phonon) or unconventional (magnetic?) origin. We present first-principles calculations of the electron-phonon…
Superconductivity and ferroelectricity,representing two distinct forms of ordered states, are typically not found together in the same system, making it even more difficult to create a connection between them. Here, supported by…
Ta$_2$NiSe$_5$ became one of the most investigated candidate materials for hosting an excitonic insulator ground state. Many studies describe the corresponding phase transition as a condensation of excitons breaking a continuous symmetry.…
The tin-selenide and tin-sulfide classes of materials undergo multiple structural transitions under high pressure leading to periodic lattice distortions, superconductivity, and topologically non-trivial phases, yet a number of…