Related papers: Ab initio molecular and solid state studies of Fe$…

The collective properties of spin-crossover chains are studied. Spin-crossover compounds contain ions with a low-spin ground state and low lying high-spin excited states and are of interest for molecular memory applications. Some of them…

Among the different types of switchable molecular compounds, sublimable Fe(II) SCO molecules provide a suitable platform to develop smart devices that respond to external stimuli. Here we report the synthesis, crystallographic structure and…

A rich variety of nematic/smectic orders in Fe-based superconductors is an important unsolved problem in strongly correlated electron systems. A unified understanding of these orders has been investigated for the last decade. In this…

Magnetic excitations are important quantum phenomena in magnetic systems and have been widely studied in individual magnetic atoms and molecules as well as their assembled structures over the past few decades. Using scanning tunneling…

We report a theoretical study of the effects of electronic correlations, magnetic properties, and chemical bonding in the recently synthesized high-pressure orthorhombic phase of FeN$_2$ using the DFT+dynamical mean-field theory approach.…

We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…

We consider the spin injection from Fe into ZnSe and GaAs in the ballistic limit. By means of the ab initio SKKR method we calculate the ground state properties of epitaxial Fe|ZnSe(001) and Fe|GaAs(001) heterostructures. Three injection…

Cold atom developments suggest the prospect of measuring scaling properties and long-range fluctuations of continuous phase transitions at zero-temperature. We discuss the conditions for characterizing the phase separation of Bose-Einstein…

(MgFe)O is a solid solution with ferrous iron undergoing the high to low spin state (HS-LS) crossover under high pressure. The exact state of the material in the region of the crossover is still a mystery, as domains with different spin…

Materials based on spin crossover (SCO) molecules have centred the attention in Molecular Magnetism for more than forty years as they provide unique examples of multifunctional and stimuli-responsive materials, which can be then integrated…

Using first-principles calculations, we demonstrate that the magnetic exchange interaction and the magnetocrystalline anisotropy of biatomic Fe chains grown in the trenches of the 5x1 reconstructed Ir(001) surface depend sensitively on the…

Nuclear inelastic scattering (NIS) spectra were recorded for the spin-crossover complexes STP and ETP (STP = [Fe(1,1,1-trisf[N-(2-pyridylmethyl)-N-methylamino]methylg- ethane)](ClO4)2 and ETP =…

We report new results of a 57Fe M\"ossbauer study of multiferroic 3R-AgFeO2 powder samples performed in a wide temperature range, including two points, TN1 ~ 14 K and TN2 ~ 9 K, of magnetic phase transitions. At the intermediate temperature…

Low temperature scanning tunneling microscopy is used to image the doped topological insulator Bi$_{2-x}$Fe$_x$Se$_3$. Interstitial Fe defects allow the detection of quasiparticle interference (QPI), and the reconstruction of the empty…

We discuss a series of thermodynamic, magnetic and electrical transport experiments on the two heavy fermion compounds CeNi2Ge2 and YbRh2Si2 in which magnetic fields, B, are used to tune the systems from a Non-Fermi liquid (NFL) into a…

Thermodynamic flunctuations in BaFe2As2 is addressed with a first-principles formulation of the Helmholtz energy by accounting for the mixture of various electronic states each distinguished by different spin orientation distributions. We…

DFT is used throughout nanoscience, especially when modeling spin-dependent properties that are important in spintronics. But standard quantum chemical methods (both CCSD(T) and self-consistent semilocal density functional calculations)…

In this study, we employ the Wien2k code to conduct ab-initio study of a novel potential all-d-metal Heusler alloy Co$_2$MnNb. The analysis utilizes the comparison of local spin density approximations (LDA) with Perdew-Burke-Ernzerh…

First-principles density-functional theory calculations show switching magnetization by 90 degree can be achieved in ultrathin BFO film by applying external electric-field. Up-spin carriers appear to the surface with positive field while…

A system of hard spheres exhibits physics that is controlled only by their density. This comes about because the interaction energy is either infinite or zero, so all allowed configurations have exactly the same energy. The low density…