相关论文: Are there stable long-range ordered Fe(1-x)Cr(x) c…

Crystal structure prediction is a central problem of theoretical crystallography and materials science, which until mid-2000s was considered intractable. Several methods, based on either energy landscape exploration$^{1,2}$ or, more…

With single crystal X-ray diffraction studies, we compare the structures of three sample showing optimal superconductivity, K0.774(4)Fe1.613(2)Se2, K0.738(6)Fe1.631(3)Se2 and Cs0.748(2)Fe1.626(1)Se2. All have an almost identical ordered…

A detailed study of the magnetic and transport properties of Si$_{1-x}$Mn$_x$ ($x\approx 0.35$) films is presented. We observe the anomalous Hall effect (AHE) in these films up to room temperature. The results of the magnetic measurements…

Sr$_2$RuO$_4$ is an unconventional superconductor with a tetragonal structure, whereas Ca$_2$RuO$_4$ is a Mott insulator with orthorhombic symmetry. The substituted Ca$_{2-x}$Sr$_x$RuO$_4$ has yielded a rich phase diagram that is just…

We report $^{75}$As NMR studies on single crystals of rare-earth doped iron pnictides superconductor Ca$_{1-x}$Pr$_{x}$Fe$_{2}$As$_{2}$ ($x$=0.075 and 0.15). The $^{75}$As spectra show a chemical pressure effect with doping and a first…

Throughout a complete Electron Spin Resonance (ESR) and magnetization study of La0.5Ca0.5MnO3, we discuss about the nature of the complex phase-segregated state established in this compound below T~210 K. Between TN<T<TC, the ESR spectra…

U-based binary alloys have been widely adopted in fast nuclear reactors, but their stability under extreme conditions of high-pressure is almost unknown, mounting up to latent risk in applications. Here, possible ordered phases in U-Zr…

Experimentally Cr doping in the rutile phase of VO$_2$ is found to stabilize a charge ordered ferromagnetic insulating state in the doping range of 10\% to 20\%. In this work, we investigated its origin at 12.5\% Cr doping using a…

We report on the electronic structure of the perovskite oxide CaCrO3 using valence-band, core-level, and Cr 2p - 3d resonant photoemission spectroscopy (PES). Despite its antiferromagnetic order, a clear Fermi edge characteristic of a metal…

We consider electronic correlation effects and their impact on magnetic properties of tetragonally distorted chemically ordered FeCo alloys (L1$_0$ structure) being a promising candidate for rare-earth-free permanent magnets. We employ a…

We propose a new model for the nature of the low temperature phase of a geometrically frustrated antiferromgnet (AFM) with a Kagome lattice, SrCr$_{8-x}$Ga$_{4+x}$O$_{19}$. We propose that the long-range dipolar interaction between the…

We report very highly resolved photoemission spectra of NiS(1-x)Se(x) across the so-called metal-insulator transition as a function of temperature as well as composition. The present results convincingly demonstrate that the low…

We perform density functional calculations to investigate the structure of the inter-metallic alloy FeRh under epitaxial strain. Bulk FeRh exhibits a metamagnetic transition from a low-temperature antiferromagnetic (AFM) phase to a…

Heusler alloy Fe2CrAl exhibits a ferromagnetic behaviour below Curie temperature (TC) ~ 202 K along with presence of cluster glass (CG) phase near freezing temperature (Tf) ~ 3.9 K and Griffiths phase (GP) above 300 K. The physical…

The decomposition of Fe-Cr solid solutions during thermal aging is modeled by Atomistic Kinetic Monte Carlo (AKMC) simulations, using a rigid lattice approximation with composition dependant pair interactions that can reproduce the change…

We present the results of ab initio modeling of structure of dilute Ti-Fe, a typical representative of quenched Ti-based transition-metal alloys. We have demonstrated that beyond the solubility limit this alloy cannot be described in common…

We report detailed structural, electrical, magnetic and specific heat studies on La0.7Ca0.3Mn1-xCrxO3 manganites. Rietveld analysis of fitted and observed XRD patterns exhibited the single-phase nature of all the studied materials, which…

The role of slight changes of the chemical composition on antiferromagnetic ordering of Cr in rare-earth orthochoromites was investigated on a series of ceramic solid-solutions Ce$_{1-x}$Eu${_x}$O$_3$ where x varied from 0 to 1. Gradual…

Rare-earth-based permanent-magnet materials rich in iron have relatively low ferromagnetic ordering temperatures. This is believed to be due to the presence of antiferromagnetic exchange interactions, besides the ferromagnetic interactions…

Cementite-type carbides are of interest for magnetocaloric applications owing to their temperature- or pressure-induced magnetic phase transition. Here, using first-principles calculations, we investigate the magnetism and the magnetic…