相关论文: A combined first-principles and thermodynamic appr…

We study magnetic and multiferroic behavior in Ca$_3$Co$_{2-x}$Mn$_{x}$O$_6$ ($x \sim$0.97) by high-field measurements of magnetization ($M$), magnetostriction ($L$($H$)/$L$), electric polarization ($P$), and magnetocaloric effect. This…

Co$_{1-x}$Mn$_x$Cr$_2$O$_4$ crystallizes as a normal spinel in the cubic $Fd \overline{3}m$ space group, and the end members have been reported to display a region of collinear ferrimagnetism as well as a low-temperature spin-spiral state…

We present a joint experimental and theoretical characterization of the magnetic properties of coordination clusters with an antiferromagnetic core of four magnetic ions. Two different compounds are analyzed, with Co and Mn ions in the…

Co-doped ZnO is the prototypical dilute magnetic oxide showing many of the characteristics of ferromagnetism. The microscopic origin of the long range order however remains elusive, since the conventional mechanisms for the magnetic…

The results of ac and dc magnetization and heat capacity measurements on the oxides, Ca$_3$Co$_{1+x}$Mn$_{1-x}$O$_6$, forming in a K$_4$CdCl$_6$-derived rhombohedral quasi-one-dimensional crystal structure, are reported. As far as…

The magnetic properties of the transition metal monoxides MnO and NiO are investigated at equilibrium and under pressure via several advanced first-principles methods coupled with Heisenberg Hamiltonian MonteCarlo. The comparative…

We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…

By using magnetization and small-angle neutron scattering (SANS) measurements, we have investigated the magnetic behavior of Mn_{1-x}Ir_{x}Si system to explore the effect of increased carrier density and spin-orbit interaction on the…

To explore how anion substitution modifies the existing magnetism in strongly correlated oxides, we investigate local electronic states and magnetic ordering in nickel oxide (NiO) induced by substituting oxygen (O) with nitrogen (N). Each N…

We present a systematic study of the magnetic properties of L1$_0$ binary alloys FeNi, CoNi, MnAl and MnGa via two different density functional theory approaches. Our calculations show large magnetocrystalline anisotropies in the order…

Substantial amounts of the transition metals Mn, Fe, Co, and Ni can be substituted for Li in single crystalline Li$_2$(Li$_{1-x}T_x$)N. Isothermal and temperature-dependent magnetization measurements reveal local magnetic moments with…

We calculate the magnetic interactions between two nearest neighbor substitutional magnetic ions (Co or Mn) in ZnO by means of density functional theory and compare it with the available experimental data. Using the local spin density…

The sign, magnitude, and range of the exchange couplings between pairs of Mn ions is determined for (Ga,Mn)N and (Ga,Mn)N:Si with x < 3%. The samples have been grown by metalorganic vapor phase epitaxy and characterized by secondary-ion…

The structural transitions, magnetic properties, and electronic structures of Co(Fe)-doped MnNiSi compounds are investigated by x-ray powder diffraction (XRD), differential scanning calorimetry (DSC), magnetic measurements, and…

Materials with a coexistence of magnetic and ferroelectric order (i.e., multiferroics) provide an efficient route for the control of magnetism by electric fields. Unfortunately, a long-sought room temperature multiferroic with strongly…

Iridates abound with interesting magnetic behaviours because of their strong spin-orbit coupling. Sr$_3$NiIrO$_6$ brings together the spin-orbital entanglement of the Ir$^{4+}$ ion with a 3$d$ Ni cation and a one-dimensional crystal…

The influence of antisite disorder occupancies on the magnetic properties of the half-metallic Co$_2$MnSi compound was studied by experimental techniques and first-principles calculations. The neutron diffraction studies show almost…

The magnetic properties of the two isostructural molecule-based magnets, Ni(NCS)$_{2}$(thiourea)$_{2}$, $S$ = 1, [thiourea = SC(NH$_2$)$_2$] and Co(NCS)$_{2}$(thiourea)$_{2}$, $S$ = 3/2, are characterised using several techniques in order…

In this work, a study of the magnetic behavior of the spinel ZnFe2O4 is presented by using the Monte Carlo simulations (MCS). The iron atoms provide the magnetism in this material. In fact, the magnetic spin of moment of the Fe3+ ions is…

Magnetic anisotropy phenomena in bimetallic antiferromagnets Mn$_2$Au and MnIr are studied by first-principles density functional theory calculations. We find strong and lattice-parameter dependent magnetic anisotropies of the ground state…