Related papers: Designed Metamagnetism in CoMnGe_{1-x}P_{x}
The fascinating multiple magnetic states observed in the Ni-Mn-Sn based metamagnetic shape memory alloy are addressed through a combined muon spin relaxation (muSR) and neutron powder diffraction studies. The material used in the present…
Neutron diffraction and ab initio studies were carried out on Mn2V1-xCoxGa (x=0, 0.25, 0.5, 0.75, 1) Heusler alloys which exhibits high TC fully compensated ferrimagnetic characteristic for x=0.5. A combined analysis of neutron diffraction…
We systematically investigate the structural, electronic and magnetic properties of Mn$_n$ clusters ($n =$ 2$-$20) within the {\it ab-initio} pseudopotential plane wave method using generalized gradient approximation for the…
We present a lattice model to study the equilibrium phase diagram of ordered alloys with one magnetic component that exhibits a low temperature phase separation between paramagnetic and ferromagnetic phases. The model is constructed from…
We report the mechanisms of atomic ordering in Fe$_{1-x}$Pt$_{x}$ alloys using density functional theory (DFT) and machine-learning interatomic potential Monte Carlo (MLIP-MC) simulations. We clarified that the formation enthalpy of the…
Disorder can have a dominating influence on correlated and quantum materials leading to novel behaviors which have no clean limit counterparts. In magnetic systems, spin and exchange disorder can provide access to quantum criticality,…
Using the density functional theory, we perform a full atomic relaxation of the bulk ferrite with 12.5%-concentration of monoatomic interstitial Cr periodically located at the edges of the bcc Fe$_\alpha$ cell. We show that structural…
We studied the correlation between magnetic, electrical, structural, and magnetostriction properties of the electron doped manganites Ca$_x$Sm$_{1-x}$MnO$_3$ (x = 0.85, 0.8). The paramagnetic to antiferromagnetic transition in both the…
Self-interaction corrected local spin density approximation calculations were performed for La$_{(1-x)}$Sr$_x$MnO$_3$ (LSMO) ($0.0<x<0.5$). The influence and inter-relationship of Sr doping, magnetic structure, O displacements and phase…
We have investigated from first-principles an electronic structure and magnetism in MnB4 compound with experimentally observed orthorhombic C12/m1 structure. It is found that Mn tetra-borides (MnB4) is found to have metallic ground state…
Magnetism of the binary intermetallic compound MnGa$_4$ is re-investigated. Band-structure calculations predict antiferromagnetic behavior in contrast to Pauli paramagnetism reported previously. Magnetic susceptibility measurements on…
We present a computational scheme for total energy calculations of disordered alloys with strong electronic correlations. It employs the coherent potential approximation combined with the dynamical mean-field theory and allows one to study…
In this paper, we use the first-principles calculations based on the density functional theory to investigate structural, electronic and magnetic properties of Fe$_{2}$YSn with (Y = Mn, Ti and V). The generalized gradient approximation…
We have synthesized a new crystallographically ordered quaternary Heusler alloy, MnNiCuSb. The crystal structure of the alloy has been determined by Rietveld refinement of the powder x-ray diffraction data. This alloy crystallizes in the…
We study the magnetic properties of small Mn ring shaped clusters on a Pt(111) surface in the framework of density functional theory. We find that the Mn atoms possess large magnetic moments, of the order of 4uB/atom, and have dominating…
We employ the dynamical mean field approximation to perform a systematic study of magnetism in Ga_{1-x}Mn_xAs. Our model incorporates the effects of the strong spin-orbit coupling on the J=3/2 GaAs valence bands and of the exchange…
We studied the stable magnetic structure of ordered Nd$_{6}$Fe$_{14-x}$Ga$_x$ ($x = 0, 1)$ alloys, which appears in the grain-boundary (GB) phase of Nd-Fe-B permanent magnets, using first-principles techniques. Slight Ga doping ($x = 1$)…
The notion of a simple ordered state implies homogeneity. If the order is established by a broken symmetry, elementary Landau theory of phase transitions shows that only one symmetry mode describes this state. Precisely at points of phase…
First-principles alloy theory, formulated within the exact muffin-tin orbitals method in combination with the coherent-potential approximation, is used to study the mechanical properties of ferromagnetic body-centered cubic (bcc)…
The magnetic system of the pseudobinary compound Mn$_{1-x}$Co$_{x}$Ge has been studied using small-angle neutron scattering and SQUID-measurements. It is found that Mn$_{1-x}$Co$_{x}$Ge orders magnetically at low temperatures in the whole…