Related papers: Study of the volume and spin collapse in orthoferr…
We use first principles density functional theory to calculate electronic and magnetic properties of TiF3 using the full potential linearized augmented plane wave method. The LDA approximation predicts a fully saturated ferromagnetic metal…
Spin-phonon coupling effects, as reflected in phonon frequency shifts between ferromagnetic (FM) and G-type antiferromagnetic (AFM) configurations in cubic CaMnO$_3$, SrMnO$_3$, BaMnO$_3$, LaCrO$_3$, LaFeO$_3$ and La$_2$(CrFe)O$_6$, are…
This study explores the pressure evolution of the double perovskite Ba$_2$NiTeO$_6$ by employing experimental and computational techniques. For the study of structural and vibrational properties, synchrotron X-ray diffraction (XRD) and…
We have carried out an extensive phonon study on multiferroic GaFeO3 to elucidate its dynamical behavior. Inelastic neutron scattering measurements are performed over a wide temperature range, 150 to 1198 K. First principles lattice…
The structural, vibrational, electronic, and magnetic properties of inverse spinel $Co_2TiO_4$ (CTO-Sp) under high-pressure (HP) conditions are systematically investigated using X-ray diffraction, Raman spectroscopy, in situ optical…
LiCu$_3$O$_3$ is a novel 2D S=1/2 antiferromagnet with randomly depleted square lattice. The crystal structure contains two types of square planes with different Cu$^{2+}\rightarrow$ Li$^{+}$ substitution rates (20% and 40%). $^7$Li NMR and…
We describe current experimental and theoretical understanding of the pressure-induced volume collapse transitions occurring in the early trivalent rare earth metals. General features of orbitally realistic mean-field based theories used to…
Sintered samples of a spinel oxide LiFeCr4O8, where Cr3+ and Fe3+ ions have localized moments, were found to show a large magnetic-field-induced volume increase approaching 500 ppm by applying a magnetic field of 9 T. This large volume…
Using local density approximation (LDA) calculations we predict GdFeO$_3$-like rotation of TiO$_6$ octahedra at the $n$-type interface between LaAlO$_3$ and SrTiO$_3$. The narrowing of the Ti $d$ bandwidth which results means that for very…
A powder X-ray diffraction study, combined with the magnetic susceptibility and electric transport measurements, was performed on a series of LnCoO3 perovskites (Ln = Y, Dy, Gd, Sm, Nd, Pr and La) over a temperature range 100 - 1000 K. A…
Recent experiments on Pd$_{3}$Fe intermetallics [Phys. Rev. Lett. 102, 237202 (2009)] have revealed that the system behaves like a classical invar alloy under high pressure. The experimental pressure-volume relation suggests an anomalous…
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…
In a joint experimental and theoretical study, we investigate the isostructural collapse from the ambient pressure tetragonal phase to a collapsed tetragonal phase for non-superconducting metallic SrFe2As2 and SrFe_1.8Ru_0.2As_2. The…
Pyrochlore FeF$_{3}$ (pyr-FeF$_{3}$) is a Heisenberg anti-ferromagnetic (AF) with a magnetic susceptibility deviating from the Curie-Weiss law, even at the room temperature. This compound shows a transition to a long-range ordered state…
The so-called local density approximation plus the multi-orbital mean-field Hubbard model (LDA+U) has been implemented within the all-electron projector augmented-wave method (PAW), and then used to compute the insulating antiferromagnetic…
We report the pressure dependence of perovskite distortions in rare-earth (R) orthochromites (RCrO3) probed using Raman scattering in order to investigate the origin of structural transition from orthorhombic Pnma to rhombohedral R-3C phase…
We report a comprehensive investigation of the excitation spectrum of ErFeO$_3$ orthoferrite by means of time-of-flight neutron spectroscopy. The spectrum consists of two distinct components: strongly dispersive spin wave excitations of the…
Neutron diffraction for a polycrystalline sample of LaCo$_{0.8}$Rh$_{0.2}$O$_{3}$ and synchrotron x-ray diffraction for polycrystalline samples of LaCo$_{0.9}$Rh$_{0.1}$O$_{3}$ and LaCo$_{0.8}$Rh$_{0.2}$O$_{3}$ have been carried out in…
The magnetic and electronic structures of Fe4O5 have been investigated at ambient and high pressures via a combination of representation analysis, density functional theory (DFT+U) calculations, and M\"ossbauer spectroscopy. A few spin…
A simple theoretical model is developed to describe spin reorientation (SR) transitions in rare-earth orthoferrites and orthochromites RFeO3 and RCrO3. Within a ``single-doublet'' approach, the free energy includes anisotropy contributions…