Related papers: Intermediate spin state and the B1-B2 transition i…
The iron-sulfur system is important for planetary interiors and is intensely studied, particularly for better understanding of the cores of Mars and Earth. Yet, there is a paradox about high-pressure stability of FeS: ab initio global…
We propose a minimal model describing magnetic behavior of Fe-based superconductors. The key ingredient of the model is a dynamical mixing of quasi-degenerate spin states of Fe2+ ion by intersite electron hoppings, resulting in an effective…
Based on results of density functional theory (DFT) calculations with the local spin density approximation (LSDA) and the generalized gradient approximation (GGA), we propose a new magnetic material, CsCl-type FeSe. The calculations reveal…
Elucidating the nature of the magnetism of a high-temperature superconductor is crucial for establishing its pairing mechanism. The parent compounds of the cuprate and iron-pnictide superconductors exhibit N\'eel and stripe magnetic order,…
We address the concomitant metal-insulator transition (MIT) and antiferromagnetic ordering in the novel pyrochlore iridate Eu2Ir2O7 by combining x-ray absorption spectroscopy, x-ray and neutron diffractions and density functional theory…
The strongly correlated material FeSi exhibits several unusual thermal, magnetic, and structural properties under varying pressure-temperature (P-T) conditions. It is a potential thermoelectric alloy and a materials of several geological…
In this paper we present a comprehensive study of magnetic dynamics in the rare-earth orthoferrite YbFeO$_3$ at temperatures below and above the spin-reorientation (SR) transition $T_{\mathrm{SR}}=7.6$ K, in magnetic fields applied along…
We propose a thermodynamic model of free energy expansion up to eighth order of magnetisation to describe the complex magnetic phase transitions in ferromagnetic superconductor UGe$_2$. The model successfully describes transitions between…
We used temperature dependent high-resolution x-ray powder diffraction and magnetization measurements to investigate structural, magnetic and electronic degrees of freedom across the ferromagnetic magneto-elastic phase transition in…
The perovskite TbFe$_{0.5}$Cr$_{0.5}$O$_3$ shows two anomalies in the magnetic susceptibility at $T_N$ = 257K and $T_{SR}$ = 190K which are respectively, the antiferromagnetic and spin reorientation transition that occur in the Fe/Cr…
A density functional theory study of the BiS$_{2}$ superconductors containing rare-earths: \textit{Ln}O$_{1-x}$F$_{x}$BiS$_{2}$ (\textit{Ln} = La, Ce, Pr, and Nd) is presented. We find that CeO$_{0.5}$F$_{0.5}$BiS$_{2}$ has competing…
We calculate the angular dependence of the x-ray linear and circular dichroism at the $L_{2,3}$ edges of $\alpha$-Fe(II) Phthalocyanine (FePc) thin films using a ligand field model with full configuration interaction. We find the best…
Iron sesquioxide (Fe2O3) displays pressure and temperature induced spin and structural transitions. Our calculations show that, density functional theory (DFT), in the generalized gradient approximation (GGA) scheme, is capable of capturing…
Among the numerous 2D system that can be prepared via exfoliation, iron phosphorus trisulfide (FePS3) attracts a lot of attention recently due to its broad-range photoresponse, its unusual Ising-type magnetic order and possible applications…
The magnetism of the second antiferromagnetic phase (AF2) arising in the iron-based LaFeAsO$_{1-x}$H$_{x}$ superconductor for $x\gtrsim0.4$ was investigated by muon spin rotation measurements under hydrostatic pressure up to 2.6 GPa. The…
The structural and magnetic phase transitions of the ternary iron arsenides SrFe2As2 and EuFe2As2 were studied by temperature-dependent x-ray powder diffraction and 57-Fe Moessbauer spectroscopy. Both compounds crystallize in the tetragonal…
Polycrystalline samples of underdoped (Ba1-xKx)Fe2As2 (x<=0.4) were synthesized and studied by x-ray powder diffraction, magnetic susceptibility, specific heat and 57Fe-Moessbauer-spectroscopy. The structural phase transition from…
The macroscopic magnetizations of a RuSr2(Eu0.7Ce0.3)2Cu2O10+d sample were investigated. A ferromagnet-like transition occurs around T_M in the low-field magnetization. Highly nonlinear M(H), non-Curie-Weiss susceptibility, and slow…
We investigate the phase diagram of a two-band frustrated Hubbard model in the framework of dynamical mean field theory. While a first-order phase transition occurs from a paramagnetic (PM) metal to an antiferromagnetic (AF) insulator when…
We investigate a well defined heterostructure constituted by magnetic Fe layers sandwiched between graphene (Gr) and Ir(111). The challenging task to avoid Fe-C solubility and Fe-Ir intermixing has been achieved with atomic controlled Fe…