Related papers: Spin crossover transition driven by pressure: Baro…
The metal-insulator and spin state transitions of CoO under high pressure are studied by using density functional theory combined with dynamical mean-field theory. Our calculations predict that the metal-insulator transition in CoO is a…
In this article in the framework of generalized Frolich model we consider electron-spin-phonon system. A parameter of electron-spin-phonon interaction is found. It is shown its interrelation with experiments on isotope-effect on high…
Ammonium sulfate is a giant inverse barocaloric material that is cheaply and commercially available. Exploiting its potential for cooling applications requires an understanding of the mechanism driving the entropy change. Here we report an…
We review the study of the superfluid phase transition in a system of fermions whose interaction can be tuned continuously along the crossover from Bardeen-Cooper-Schrieffer (BCS) superconducting phase to a Bose-Einstein condensate (BEC),…
We present a Monte Carlo study of the finite temperature properties of an extended Hubbard-Peierls model describing one dimensional $\pi$-conjugated polymers. The model incorporates electron-phonon and hyperfine interaction and it is solved…
Spin-crossover (SCO) molecules are versatile magnetic switches with applications in molecular electronics and spintronics. Downscaling devices to the single-molecule level remains, however, a challenging task since the switching mechanism…
We predict the existence of large barocaloric effects above room temperature in the thermoelectric fast-ion conductor Cu$_{2}$Se by using classical molecular dynamics simulations and first-principles computational methods. A hydrostatic…
Systematic benchmark calculations for elemental bulks are presented to validate the accuracy of density functional theory for superconductors. We developed a method to treat the spin-orbit interaction (SOI) together with the spin…
The dominant majority of the hundreds of available spin-crossover compounds, including the technologically most promising ones, are based on the Earth-abundant metal iron, making these switches particularly appealing in terms of sustainable…
Using one of the methods of quantum nonequilibrium statistical physics we have investigated the spin transport transverse to the normal metal/ferromagnetic insulator interface in hybrid nanostructures. An approximation of the effective…
Magnetic and vibrational excitations in SrCu$_2$(BO$_3$)$_2$ are studied using Raman spectroscopy at hydrostatic pressures up to 34 kbar and temperatures down to 2.6 K. The frequency of a particular optical phonon, the so-called pantograph…
We present a theory that elucidates the major momentum and spin relaxation processes for electrons, holes and hot excitons in monolayer transition-metal dichalcogenides. We expand on spin flips induced by flexural phonons and show that the…
Understanding the effect of vibrations in optically active nano systems is crucial for successfully implementing applications in molecular-based electro-optical devices, quantum information communications, single photon sources, and…
First-principles calculations are performed for electronic structures of two high pressure phases of solid selenium, $\beta$-Po and bcc. Our calculation reproduces well the pressure-induced phase transition from $\beta$-Po to bcc observed…
The pressure induced bcc to hcp transition in Fe has been investigated via ab-initio electronic structure calculations. It is found by the disordered local moment (DLM) calculations that the temperature induced spin fluctuations result in…
We explore proximity-induced magnetocaloric effect (MCE) on transition metal dichalcogenides, focusing on a two-dimensional (2D) MoTe$_2$ monolayer deposited on a ferromagnetic semiconductor EuO substrate connected to a heat source. We…
Spin-crossover has a wide range of applications from memory devices to sensors. This has to do mainly with the nature of the transition, which may be abrupt, gradual or incomplete and may also present hysteresis. This transition alters the…
We present and verify experimentally a universal theoretical framework for the description of spin-charge interconversion in non-magnetic metal/insulator structures with interfacial spin-orbit coupling (ISOC). Our formulation is based on…
We report on calorimetry under applied hydrostatic pressure and magnetic field at the antiferromagnetic (AFM)-ferromagnetic (FM) transition of Fe$_{49}$Rh$_{51}$. Results demonstrate the existence of a giant barocaloric effect in this…
The spin transition in LaCoO3 is investigated by temperature-dependent resonant soft X-ray emission spectroscopy near the Co 2p absorption edges. This element-specific technique is more bulk sensitive with respect to the temperature induced…