相关论文: Prediction of magnetic moment collapse in ZrFe$_2$…
The electronic structures of four Laves phase iron compounds (e.g. YFe$_2$, ZrFe$_2$, LuFe$_2$ and HfFe$_2$) have been calculated by the state-of-the-art full potential electronic structure code. The magnetic moments collapse under…
Electronic structure and magnetic properties of Fe$_3$Se$_4$ are calculated using the density functional approach. Due to the metallic properties, magnetic moments of the iron atoms in two nonequivalent positions in the unit cell are…
Itinerant magnets generally exhibit pressure induced transitions towards non magnetic states. Using synchrotron based X-ray diffraction and emission spectroscopy, the evolution of the lattice and spin moment in the chiral magnet MnGe was…
The crystal structure, magnetic ordering, and electrical resistivity of TlFe1.6Se2 were studied at high pressures. Below ~7 GPa, TlFe1.6Se2 is an antiferromagnetically ordered semiconductor with a ThCr2Si2-type structure. The…
Recent experiments on Pd$_{3}$Fe intermetallics [Phys. Rev. Lett. 102, 237202 (2009)] have revealed that the system behaves like a classical invar alloy under high pressure. The experimental pressure-volume relation suggests an anomalous…
A large conventional magnetocaloric effect at the second order magnetic transition in cubic Ni2Mn1.4In0.6 Heusler alloy is reported. The isothermal magnetization at 2K shows a huge ground state magnetic moment of about 6.17 {\mu}B/f.u. The…
A method is proposed for investigating the spontaneous magnetization, the spontaneous volume magnetostriction, and their relationship in disordered face-centered-cubic Fe$_{0.72}$Pt$_{0.28}$ and Fe$_{0.65}$Ni$_{0.35}$ in the temperature…
The effects of hydrostatic pressure on the static magnetism in Eu(Fe$_{0.925}$Co$_{0.075}$)$_{2}$As$_{2}$ are investigated by complementary electrical resistivity, ac magnetic susceptibility and single-crystal neutron diffraction…
We present the electrical resistivity data under application of pressures up to $\sim$ 26 GPa and down to 50 mK temperatures on YbFe$_2$Zn$_{20}$. We find a pressure induced magnetic phase transition with an onset at $p_c$=18.2$\pm$0.8 GPa.…
Experimental and computational studies were performed on Co2FeGe Heusler alloy. It was found that the alloy has very high experimental magnetic moment of 6.1 muB/f.u., curie temperature of 1073K and very high spin-wave stiffness constant of…
Iron oxide is one of the most important components in Earth's mantle. Recent discovery of the stable presence of Fe5O6 at Earth's mantle environment stimulates significant interests in the understanding of this new category of iron oxides.…
The density functional non-interacting susceptibility has been analyzed in different phases of CaFe2As2 and compared with similar data for pure d-metals. The conditions for the "no local moment" itinerant state with large frustrations are…
We investigate the effect of external pressure on the Fe magnetic moment in undoped LaOFeAs within the framework of density functional theory and show that this system is close to a magnetic instability: The Fe moment is found to drop by…
The Fe sublattice in the compound ZrFe$_4$Si$_2$ features geometrical frustration and quasi-one-dimensionality. We therefore investigated the magnetic behavior in ZrFe$_4$Si$_2$ and its evolution upon substituting Ge for Si and under the…
We investigate the structural, electronic and magnetic properties of the full Heusler compounds Mn$_2$YSn (Y = Mo, Nb, Zr) by first-principles density functional theory using the generalized gradient approximation. It is found that the…
The half-metallic properties of a new and promising full-Heusler compound, Zr2CoSn, are investigated by means of ab initio calculations within the Density Functional Theory framework. The ferromagnetic ordered Hg2CuTi-type crystal structure…
The crystal and magnetic structures of AlFe2B2 have been studied with a combination of X-ray and neutron diffraction and electronic structure calculations. The magnetic and magnetocaloric properties have been investigated by magnetisation…
The zero temperature Mott transition region in antiferromagnetic, spin S=5/2 MnO is probed using the correlated band theory LSDA+U method. The first transition encountered is an insulator-insulator volume collapse within the rocksalt…
We explored the anomalously low moment in MnSi found by experiment (~0.4 $\mu_{\text{B}}$/Mn) vs the moment predicted by density functional theory (~1.0 $\mu_{\text{B}}$/Mn). With the addition of a Hubbard-U correction, we found several…
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…