Related papers: Temperature and Pressure-driven Spin transitions a…
Hybrid or metal organic framework (MOF) perovskites of general composition, ABX$_3$, are known to show interesting properties which can lead to variety of technological applications. Our first principles study shows they are also potential…
We have witnessed a wide range of theoretical as well as experimental investigations to envisage external stimuli induced changes in electronic, optical, and magnetic properties in the metal organic complexes, while hybrid perovskites have…
Spin crossover plays a central role in the structural instability, net magnetic moment modification, metallization, and even in superconductivity in corresponding materials. Most reports on the pressure-induced spin crossover with a large…
Dimethylammonium magnesium formate, [(CH$_3$)$_2$NH$_2$][Mg(HCOO)$_3$] or DMAMgF, is a model to study high temperature hybrid perovskite-like dielectrics. This compound displays a phase transition from para to ferroelectric at about 260~K.…
Recently, the possibility of exploiting the phenomenon of spin transition (ST) has been intensively investigated, therefore, it is particularly important to study the behavior of ST under various stimuli. Here, the shape and content of the…
In this study, I have investigated the magnetic and critical properties of manganese pyrochlore fluoride NaSrMn$_{2}$F$_{7}$, which exhibits a glass transition at T$_\text{f}$$=$2.5 (K) due to charge disorder. A DFT+$U$+SOC framework is…
The magnetic properties of the double perovskite oxide $Sr_{2}$FeMo$O_{6}$ are analyzed using a mixed-spin Ising model with spins $\left( \frac{1}{2},\frac{5}{2}\right) $ in the presence of a random crystal field $\Delta$ and exchange…
A metal-insulator transition (MIT) in BiFeO$_3$ under pressure was investigated by a method combining Generalized Gradient Corrected Local Density Approximation with Dynamical Mean-Field Theory (GGA+DMFT). Our paramagnetic calculations are…
We report the observation of a persistent spin texture (PST) in pseudo-2D hybrid perovskite, characterized by significant spin splitting strength on the order of \(3 \, \text{eV} \cdot \text{\AA}\). Using first-principles density functional…
Investigation of the electronic and spin structure in double perovskites is recently attracting significant attention, mainly driven by their unique multifunctional properties and other underlying charge and spin dynamics. Herein, using…
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…
Experimental data obtained with the perovskite compounds Pr$_{0.55}$Sr$_{0.45}$MnO$_{3}$ show that the magnetization decreases with increasing temperature $T$ and undergoes a very sharp phase transition to the paramagnetic phase. The sharp…
We show by extensive Monte Carlo simulations that we need a multi-spin interaction in addition to pairwise interactions in order to reproduce the temperature dependence of the experimental magnetization observed in the perovskite compound…
Materials combining the optoelectronic functionalities of semiconductors with control of the spin degree of freedom are highly sought after for the advancement of quantum technology devices. Here, we report the paramagnetic…
We present a detailed magnetothermal study of Pr(0.7)Ca(0.3)MnO(3), a perovskite manganite in which an insulator-metal transition can be driven by magnetic field, but also by pressure, visible light, x-rays, or high currents. We find that…
Hybrid quantum systems, which combine quantum-mechanical systems with macroscopic mechanical oscillators, have attracted increasing interest as they are well suited as high-performance sensors or transducers in quantum computers. A…
Information can be stored in magnetic materials by encoding with the direction of the magnetic moment of elements. A figure of merit for these systems is the energy needed to change the information rewrite the storage by changing the…
We model changes of magnetic ordering in Mn-antiperovskite nitrides driven by biaxial lattice strain at zero and at finite temperature. We employ a non-collinear spin-polarised density functional theory to compare the response of the…
We study the spin and heat conductivity of dimerized spin-1/2 chains in homogeneous magnetic fields at finite temperatures. At zero temperature, the model undergoes two field-induced quantum phase transitions from a dimerized, into a…
Temperature-dependent dynamical spin correlations, which can be readily accessed via a variety of experimental techniques, hold the potential of offering a unique fingerprint of quantum spin liquids and other intriguing dynamical states. In…