Related papers: Spin crossover transition driven by pressure: Baro…
To investigate the pressure-induced structural transitions of chromium dioxide (CrO$_{2}$), phonon dispersions and total energy band structures are calculated as a function of pressure. The first structural transition has been confirmed at…
We employ a combination of the \emph{ab initio} band structure methods and dynamical mean-field theory to determine the electronic structure and phase stability of paramagnetic FeO at high pressure and temperature. Our results reveal a…
The proposed switching mechanism is based on an electronically-induced metal-insulator transition occurring in conditions of the excess non-equilibrium carrier density under the applied electric field. First, this mechanism is developed on…
The electronic structure, phonons, electron-phonon coupling, and superconductivity are theoretically studied in noncentrosymmetric superconductor ThCoC$_2$ as a function of pressure, in the pressure range 0 - 20 GPa. We found that the…
Motivated by the anomalous temperature dependence of the c-axis resistivity of Sr$_2$RuO$_4$, the dimensional crossover from a network of perpendicular one-dimensional chains to a two-dimensional system due to a weak hybridization between…
The mechanism of unconventional superconductivity, such as high-temperature-cuprate, Fe-based, and heavy-fermion superconductors, has been studied as a central issue in condensed-matter physics. Spin fluctuations, instead of phonons, are…
Transition metal dichalcogenides have been the primary materials of interest in the field of valleytronics for their potential in information storage, yet the limiting factor has been achieving long valley decoherence times. We explore the…
Ferropericlase (Fp), (Mg$_\mathrm{1-x}$Fe$_\mathrm{x}$)O, is the second most abundant phase in the Earths lower mantle. At relevant pressure-temperature conditions, iron in Fp undergoes a high spin (HS), S=2, to low spin (LS), S=0, state…
One promising route toward encoding information is to utilize the two stable electronic states of a spin crossover molecule. However, while this property is clearly manifested in transport across single molecule junctions, evidence linking…
Topological insulators are a novel class of quantum materials characterized by protected gapless surface or edge states but insulating bulk states which is due to presence of spin-orbit interactions and time-reversal symmetry. Such an…
Simple elastic models of spin-crossover compounds are known empirically to exhibit classical critical behavior. We demonstrate how the long-ranged interactions responsible for this behavior arise naturally upon integrating out mechanical…
Solid-state refrigeration based on caloric effects is an energetically efficient and environmentally friendly technology, which is deemed as a potential alternative to the conventional vapor-compression technology. One of the greatest…
We theoretically study the crossover between spin Hall effect and spin swapping, a recently predicted phenomenon that consists in the interchange between the current flow and its spin polarization directions [Lifshits and Dyakonov, Phys.…
Recent research dealing with magnetocaloric effect (MCE) study of antiferromagnetic (AFM) low dimensional spin systems have revealed a number of fascinating ground-state crossover characteristics upon application of external magnetic field.…
Pressure dependence of the thermodynamic critical field $B_{\rm c}$ in elemental indium (In) and tin (Sn) superconductors was studied by means of the muon-spin rotation/relaxation. Pressure enhances the deviation of $B_{\rm c}(T)$ from the…
Solid-state methods for cooling and heating promise a more sustainable alternative to current compression cycles of greenhouse gases and inefficient fuel-burning heaters. Barocaloric effects (BCE) driven by hydrostatic pressure ($p$) are…
The spin state transition in LaCoO$_3$ has eluded description for decades despite concerted theoretical and experimental effort. In this study, we approach this problem using fully charge self-consistent Density Functional Theory + Embedded…
The phonon dispersion and the electron-phonon interaction for the $\beta$-Po and the bcc high pressure phases of tellurium are computed with density-functional perturbation theory. Our calculations reproduce and explain the experimentally…
The magnon-phonon coupling has received growing attention in recent years due to its central role in spin caloritronics and the emerging field of acoustic spintronics. At resonance, this magnetoelastic interaction drives the formation of…
The $2d$ Hubbard model with nearest-neighbour hopping on the square lattice and an average of one electron per site is known to undergo an extended crossover from metallic to insulating behavior driven by proliferating antiferromagnetic…