Related papers: Strain-induced structural instability in FeRh
We present an ab initio full-potential linearized augmented plane-wave (FLAPW) study of the structural and electronic properties of the two bulk unstable compounds FeSi (CsCl structure) and FeSi$_2$ (CaF$_2$ structure) which have recently…
Motivated by weak ferromagnetism (FM) in a $\tau$-type molecular conductor ($\tau$-MC), we examine its mechanism using a two-band extended Hubbard model. Applying the random phase approximation, we elucidate the uniform spin and charge…
The low-temperature crystal structure of Fe1.13Te, which exhibits an anomalous two-step magnetic transition, was clarified by the systematic x-ray diffraction measurements. It was found that two-step structural phase transition,…
A fundamental question in the study of ferromagnetic shap ememory alloys is the nature of magnetoelastic coupling and the extent it drives the structural transformation. This question also holds the key to developing new and optimized…
The celebrated antiferromagnetic phase transition was realized in a most recent optical lattice experiment for 3D fermionic Hubbard model [Shao {\it et al}., Nature {\bf 632}, 267 (2024)]. Despite the great achievement, it was observed that…
Deformation heterogeneities within microstructures of polycrystalline shape memory alloys (SMAs) during superelastic stressing are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high…
We present thermodynamic, structural and transport measurements on Ba(Fe0.973Cr0.027)2As2 single crystals. All measurements reveal sharp anomalies at ~ 112 K. Single crystal x-ray diffraction identifies the structural transition as a first…
It has been well established that both in bulk at ambient pressure and for films under modest strains, cubic SrCoO$_{3-\delta}$ ($\delta < 0.2$) is a ferromagnetic metal. Recent theoretical work, however, indicates that a magnetic phase…
Composite quantum materials are the ideal examples of multifunctional systems which simultaneously host more than one novel quantum phenomenon in physics. Here, we present a combined theoretical and experimental study to demonstrate the…
Using the state-of-art dynamical mean-field theory combined with density functional theory method, we have performed systematic study on the temperature and pressure dependent electronic structure of ferromagnetic quantum critical material…
Electronic nematicity in iron pnictide materials is coupled to both the lattice and the conducting electrons, which allows both structural and transport observables to probe nematic fluctuations and the order parameter. Here we combine…
Lattice stability in a model of antiferromagnetic ring coupled to adiabatic phonons is investigated for different values of the spin and numbers of magnetic sites. The magneto-elastic transition is shown to be heavily affected by the spin…
Despite the fact that 1111-type iron arsenides hold the record transition temperature of iron-based superconductors, their electronic structures have not been studied much because of the lack of high-quality single crystals. In this study,…
We have studied the effect of Fe addition on the structural and magnetic transitions in the magnetic shape memory alloy Ni-Mn-Ga by substituting systematically each atomic species by Fe. Calorimetric and AC susceptibility measurements have…
We present an ab-initio-based effective interaction model (EIM) for the study of magnetism, thermodynamics, and their interplay in body-centered cubic Fe-Co alloys, with Co content from 0 to 70%. The model includes explicitly both spin and…
For face-centered cubic (fcc) and tetragonal (fct) iron a large number of magnetic configurations as a function of crystal structural parameters were studied by means of density functional theory. The stability of magnetic structures was…
The resistivity $\rho$ and Hall resistivity $\rho_H$ are measured on FeSe at pressures up to $P$ = 28.3 kbar in magnetic fields up to $B$ = 14.5 T. The $\rho(B)$ and $\rho_H(B)$ curves are analyzed with multicarrier models to estimate the…
CrN is observed to undergo a paramagnetic to antiferromagnetic transition accompanied by a shear distortion from cubic NaCl-type to orthorhombic structure. Our first-principle plane wave and ultrasoft pseudopotential calculations confirm…
We report on the magnetic properties of a special configuration of a FeRh thin film. An anomalous behavior on the magnetisation vs. temperature was observed when low magnetic fields are applied in the plane of a thin layer of FeRh deposited…
The adiabatic elastocaloric effect measures the temperature change of given systems with strain and probes the entropic landscape in the temperature-strain space. In this study we demonstrate that the DC bias strain-dependence of AC…