Related papers: Intermediate spin state and the B1-B2 transition i…
Being a lithophile element at ambient pressure, magnesium is long believed to be immiscible with iron. A recent study by Gao et al. [1] showed that pressure turns magnesium into a siderophile element and can produce unconventional Fe-Mg…
The mutual coupling of spin and lattice degrees of freedom is ubiquitous in magnetic materials and potentially creates exotic magnetic states in response to the external magnetic field. Particularly, geometrically frustrated magnets serve…
Two-dimensional (2D) magnetic materials are of current great interest for their promising applications in spintronics. Strong magnetic coupling and anisotropy are both highly desirable for the achievement of a high temperature magnetic…
FeO is a crucial phase of the Earth's core, and its thermodynamic properties are essential to developing more accurate core models. It is also a notorious correlated insulator in the NaCl-type (B1) phase at ambient conditions. It undergoes…
The phase transition to ferromagnetic order in itinerant ferromagnetic superconductor UGe$_2$ as function of pressure shows change of phase transition order. At low temperature and high pressure the transition is of first order and at…
The paper discusses the magnetic state of zeta phase of iron nitride viz. $\zeta$-Fe$_2$N on the basis of spin polarized first principles electronic structure calculations together with a review of already published data. Results of our…
Terrestrial exoplanets are of great interest for being simultaneously similar to and different from Earth. Their compositions are likely comparable to those of solar-terrestrial objects, but their internal pressures and temperatures can…
FeO (w\"ustite), which exhibits complex electronic and structural properties with increasing pressure and temperature, is a key mineralogical phase for understanding deep planetary interiors. However, direct measurements of its spin state…
We consider a mixture of two species of spin-1 atoms with both interspecies and intraspecies spin exchanges in a weak magnetic field. Under the usual single mode approximation, it can be reduced to a model of coupled giant spins. We find…
A rapid and anisotropic modification of the Fermi-surface shape can be associated with abrupt changes in crystalline lattice geometry or in the magnetic state of a material. In this study we show that such an electronic topological…
Structural, magnetic and electrical-transport properties of {\alpha}-LiFeO2, crystallizing in the rock salt structure with random distribution of Li and Fe ions, have been studied by synchrotron X-ray diffraction, 57Fe M\"ossbauer…
We report the discovery of a new allotrope of iron by first principles calculations. This phase has $Pmn2_1$ symmetry, a six-atom unit cell (hence the name Fe$_6$), and the highest magnetization density (M$_s$) among all known crystalline…
One of the key factors behind the rapid evolution of molecular spintronics is the efficient realization of spin manipulation of organic molecules with a magnetic center. The spin state of such molecules may depend crucially on the…
The magnetic properties of iron-based superconductors $A$Fe$_2$As$_2$ ($A=$K, Cs, and Rb), which are characterized by the V-shaped dependence of the critical temperature ($T_{\rm c}$) on pressure ($P$) were studied by means of the muon spin…
A clear physics picture of TbBaCo$_{2}$O$_{5.5}$ is revealed on the basis of density functional theory calculations. An antiferromagnetic (AFM) superexchange coupling between the almost high-spin Co$^{3+}$ ions competes with a ferromagnetic…
Neutron diffraction and muon spin relaxation measurements are used to obtain a detailed phase diagram of Pr(Fe,Ru)AsO. The isoelectronic substitution of Ru for Fe acts effectively as spin dilution, suppressing both the structural and…
We have studied the ferrous (Fe2+) and ferric (Fe3+) iron concentrations in Al-free Fe containing Mg-silicate perovskite (Mg-Pv) at pressure (P), temperature (T), and oxygen fugacity (fO2) conditions related to the lower mantle using a…
Multi-orbital Hubbard model Hamiltonians for the undoped parent compounds of the Fe-pnictide superconductors are here investigated using mean-field techniques. For a realistic four-orbital model, our results show the existence of an…
We have studied (Tb$_{1-x}$La$_x$)$_2$Mo$_2$O$_7$ pyrochlores by neutron diffraction and $\mu$SR at ambient and under applied pressure. Substitution of Tb for La expands the lattice and induces a change from a spin-glass like state…
We investigate the pressure phase diagram of FeTe, predicting structural and magnetic properties in the normal state at zero temperature within density functional theory (DFT). We carefully examined several possible different crystal…