相关论文: Atomistic Description of Spin Crossover Under Pres…
This article describes a mean-field theoretical model for Spin-Crossover (SCO) materials and explores its implications. It is based on a simple Hamiltonian that yields the high spin molar fraction as a function of temperature and pressure,…
Rapidly developing science and technology demand new materials with versatile and promising properties for practical applications. In this context, pseudo-octahedral iron(II) spin crossover (SCO) complexes are particularly appealing - not…
Pressure-induced phase transitions of spin-crossover materials were simulated by a Monte Carlo simulation in the constant pressure ensemble for the first time. Here, as the origin of the cooperative interaction, we adopt elastic interaction…
We present a first evaluation of the potential for spin crossover (SCO) compounds to be considered as a new class of giant mechanocaloric effect material. From literature data on the variation of the spin crossover temperature with…
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…
Conventional barocaloric materials typically exhibit limited operating temperature ranges. In contrast, KPF$_6$ has recently been reported to achieve an exceptional all-temperature barocaloric effect (BCE) via pressure-driven phase…
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…
The thermodynamic critical field $B_{\rm c}$ provides direct access to the superconducting condensation energy, yet its pressure dependence has been studied much less extensively than that of the transition temperature. Here,…
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…
Realization of spin crossover (SCO) based applications requires studying of spin state switching characteristics of SCO complex molecules at nanostructured environments especially on-surface. Except for a very few cases, the SCO of a…
Due to its high energy efficiency and environmental friendliness, solid-state cooling based on the barocaloric (BC) effect represents a promising alternative to traditional refrigeration technologies relying on greenhouse gases. Plastic…
The effects of pressure up to $\sim 20$ kbar, on the structural phase transition of SrFe$_2$As$_2$ and lightly Sn-doped BaFe$_2$As$_2$, as well as on the superconducting transition temperature and upper critical field of…
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…
Materials with spin-crossover (SCO) properties hold great potentials in information storage and therefore have received a lot of concerns in the recent decades. The hysteresis phenomena accompanying SCO is attributed to the intermolecular…
To investigate the caloric effects in the CsH$_2$PO$_4$ ferroelectric, a modified pseudospin model of this crystal is used, which takes into account the dependence of the parameters of interaction between pseudospins on lattice strains. The…
The effects of pressure up to $\sim 20$ kbar, on the structural phase transition of lightly Sn-doped BaFe$_2$As$_2$, as well as on the superconducting transition temperature and upper critical field of (Ba$_{0.55}$K$_{0.45}$)Fe$_2$As$_2$…
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),…
Pressure not only provides a powerful way to tune the crystal structure of transition metal dichalcogenides (TMDCs) but also promotes the discovery of exotic electronic states and intriguing phenomena. Structural transitions from the…
Spin crossover (SCO) complexes are highly flexible bistable molecular switches with two distinct spin states that can be switched into each other by external stimuli such as temperature, pressure, or light. In the condensed phase, this spin…
Spin crossover (SCO) molecules are promising bi-stable magnetic switches with applications in molecular spintronics. However, little is known about the switching effects of a single SCO molecule when it is confined between two metal…