Related papers: Ab-initio study of the beta Fe2O3 phase
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…
The low temperature behavior of Pr$_{1-x}$Ca$_{x}$MnO$_{3}$ manganites are known to undergo a transition at $x\sim$0.3, from an insulating ferromagnetic state, at low Ca concentration, to an insulating antiferromagnetic state. Above the…
At room temperature, GdMnO3 is a paraelectric and paramagnetic with a distorted perovskite structure of orthorhombic symmetry (space group Pnma). On cooling, it undergoes a phase transition sequence to a magnetic incommensurate phase…
We present the magnetic phase diagram of a spin-1/2 chain antiferromagnet Sr$_2$CuO$_3$ studied by ultrasound phase-sensitive detection technique. We observe an enhanced effect of external magnetic field on the ordering temperature of the…
We report the magnetic and electronic properties of the bilayer ruthenate Sr$_3$Ru$_2$O$_7$ upon Fe substitution for Ru. We find that Sr$_3$(Ru$_{1-x}$Fe$_x$)$_2$O$_7$ shows a spin-glass-like phase below 4 K for $x$ = 0.01 and commensurate…
The electrical resistance, Hall resistance and thermoelectric power of the Ising-like antiferromagnet UIrSi3 were measured as functions of temperature and magnetic field. We have observed that the unequivocally different characters of…
This work is devoted to the analysis of orbital patterns and related to them interatomic magnetic interactions in centrosymmetric monoclinic structures of BiMnO$_3$, which have been recently determined experimentally. First, we set up an…
The structural and physical properties of two single-grain Au-Al-Gd 1/1 approximant crystals (ACs) with analyzed compositions Au73.67Al12.24Gd14.09 and Au74.67Al11.35Gd13.98 were thoroughly investigated. The two variants are iso-structural…
We grew high-quality single crystals of the 5f electron van der Waals compound UI$_3$ and investigated them by measurements of specific heat and magnetization as functions of temperature and magnetic field. UI$_3$ behaves as an…
The EPR spectra along different crystallographic axes for single crystals of CuGeO3 containing 1% of Fe impurity have been studied in the frequency range 60-360 GHz at temperatures 0.5-30 K. The analysis based on the Oshikawa-Affleck (OA)…
Developing a comprehensive magnetic theory for correlated itinerant magnets poses challenges due to the difficulty in reconciling both local moments and itinerant electrons. In this work, we investigate the microscopic process of magnetic…
We predict an unconventional magnetic ground state in A$_y$Fe$_{1.6}$Se$_2$ with $\sqrt{5}\times\sqrt{5}$ Fe-vacancy superstructure under hydraulic external pressure based on first-principles simulations. While the Fe-vacancy ordering…
We employ state-of-the-art ab initio simulations within the dynamical mean-field theory to study three likely phases of iron (hexogonal close-packed, hcp, face centered cubic, fcc, and body centered cubic, bcc) at the Earth's core…
The temperature-pressure phase diagram of the ferromagnet LaCrGe$_3$ is determined for the first time from a combination of magnetization, muon-spin-rotation and electrical resistivity measurements. The ferromagnetic phase is suppressed…
We present in-situ x-ray diffraction and velocity measurements of Fe$_2$O$_3$ under laser shock compression at pressures between 38-116 GPa. None of the phases reported by static compression studies were observed. Instead, we observed an…
The phase diagram of the d=3 Hubbard model is calculated as a function of temperature and electron density n_i, in the full range of densities between 0 and 2 electrons per site, using renormalization-group theory. An antiferromagnetic…
Magnetization and specific heat measurements on a UIrSi3 single crystal reveal Ising-like antiferromagnetism below T$_N$ = 41.7 K with easy magnetization direction along the c-axis of tetragonal structure. The antiferromagentic ordering is…
FeGa$_3$ is an unusual intermetallic semiconductor that presents intriguing magnetic responses to the tuning of its electronic properties. When doped with Ge, the system evolves from diamagnetic to paramagnetic to ferromagnetic ground…
Motivated by recent experiments on the metamagnet FeBr2, anomalies of the magnetization and the specific heat in the antiferromagnetic phase of related spin models are studied systematically using Monte Carlo simulations. In particular, the…
The antiferromagnet Mn$_5$Si$_3$ has recently attracted attention because a noncollinear spin arrangement has been shown to produce a topological anomalous Hall effect and an inverse magnetocaloric effect. Here we synthesize single crystals…