Related papers: Orbital and magnetic ordering in single-layer FePS…
The electronic and magnetic properties of monoclinic double perovskite Sr$_2$CeIrO$_6$ were examined based on both experiments and first-principles density functional theory calculations. From the calculations we conclude that…
We study the magnetic properties of Fe_1+y Te, a parent compound of the iron-based high-temperature superconductors. Motivated by recent neutron scattering experiments, we show that a spin-1 exchange model, supplemented by a single-ion spin…
Iron-titanium sulfides FeTi2S4 and Fe2TiS4 have been structurally and magnetically characterized using powder X Ray Diffraction with Rietveld refinement method and 57Fe M\"ossbauer spectroscopy at variable temperature. Both sulfides have…
The electronic and magnetic properties of the delafossite CuFeO2 are investigated by means of electronic structure calculations. They are performed using density functional theory in the generalized gradient approximation as well as the new…
The iron arsenide Sr2CrO3FeAs with the tetragonal Sr2GaO3CuS-type structure was synthesized and its crystal structure re-determined by neutron powder diffraction. In contrast to previous X-ray crystallographic studies, a mixed occupancy of…
The ability to tune magnetic orders, such as magnetic anisotropy and topological spin texture, is desired in order to achieve high-performance spintronic devices. A recent strategy has been to employ interfacial engineering techniques, such…
Structure-property relationships have always been guiding principles in discovering new materials. Here we explore the relationships to discover novel two-dimensional (2D) materials with the goal of identifying 2D magnetic semiconductors…
The local structure of (Al_0.06V_0.94)_2O_3 in the paramagnetic insulating (PI) and antiferromagnetically ordered insulating (AFI) phase has been investigated using hard and soft x-ray absorption techniques. It is shown that: 1) on a local…
FeNbTe$_{2}$, long known as a van der Waals metallic system, has recently been resynthesized and shown to exhibit ferromagnetic order. In this study, using first-principles density functional theory (DFT), we aim to provide a deeper insight…
LiFePO$_4$ (LFPO) is an archetypical and well-known cathode material for rechargeable Li-ion batteries. However, its quasi-one-dimensional (Q1D) structure along with the Fe ions, LFPO also displays interesting low-temperature magnetic…
We report results of 57Fe Mossbauer and 31P NMR studies of a phosphide FeP powder sample performed in a wide temperature range including the point (TN ~ 120 K) of magnetic phase transitions. The 57Fe Mossbauer spectra at low temperatures T…
In this paper we investigate the intercalation effects of Iron (Fe) in the van der Waals gap of Bi$_2$Se$_3$ on the magnetic and transport properties using first-principles band structure estimations combined using dynamical mean-field…
In copper-oxide and iron-based high temperature (high-$T_{\rm c}$) superconductors, many physical properties exhibit in-plane anisotropy, which is believed to be caused by a rotational symmetry-breaking nematic order, whose origin and its…
Here we systematically investigate the impact of the spin direction on the electronic and optical properties of transition metal phosphorus trichalcogenides (MPX$_3$, M=Mn, Ni, Fe; X=S, Se) exhibiting various antiferromagnetic arrangement…
The magnetic ground state of geometrically frustrated antiferromagnet attracts great research interests due to the possibility to realize novel quantum magnetic state such as a quantum spin liquid. Here we present a comprehensive magnetic…
Ordered FePdCu nanoisland arrays were formed by annealing at 600oC, which caused solid state dewetting of [Cu/Fe/Pd] multilayers deposited on self-assembled SiO2 nanospheres with size of 100 nm. A single FePdCu island was formed on the top…
Quantum fluctuations in the effective spin one-half layered structure triangular-lattice quantum Heisenberg antiferromagnet Ba$_3$CoSb$_2$O$_9$ lift the classical degeneracy of the antiferromagnetic ground state in magnetic field, producing…
Electronic structures for the conduction bands of both hexagonal and orthorhombic LuFeO3 thin films have been measured using x-ray absorption spectroscopy at oxygen K (O K) edge. Dramatic differences in both the spectra shape and the linear…
The short and medium range structure of a NaFeSi2O6 (NFS) glass has been investigated by high-resolution neutron diffraction with Fe isotopic substitution, combined with Empirical Potential Structure Refinement (EPSR) simulations. The…
The orbital, which represents the shape of the electron cloud, very often strongly influences the manifestation of various exotic phenomena, e.g., magnetism, metal-insulator transition, colossal magnetoresistance, unconventional…