Related papers: First-principles study of Exchange Interaction in …
We present an ab-initio-based effective interaction model (EIM) for the study of magnetism, thermodynamics, and their interplay in body-centered cubic Fe-Co alloys, with Co content from 0 to 70%. The model includes explicitly both spin and…
BaCo$_2$V$_2$O$_8$ is a one-dimensional antiferromagnetic spin-1/2 chain system with pronounced Ising anisotropy of the magnetic exchange. Due to finite interchain interactions long-range antiferromagnetic order develops below $T_{\rm N}…
Heat-capacity behavior in the presence of externally applied magnetic field (H) up to 140 kOe is investigated (2-35 K) for the quasi-1-dimensional compound, Ca3Co2O6, believed to order magnetically with the so-called partially disordered…
We have measured the optical conductivity of single crystal LuMnO3 from 10 to 45000 cm-1 at temperatures between 4 and 300 K. A symmetry allowed on-site Mn $d$-$d$ transition near 1.7 eV is observed to blue shift (~0.1 eV) in the…
The exchange coupling of two magnetic layers via a diffuse oxide interlayer is studied with an atomistic spin model. We investigate the effect of magnetic concentration and oxide layer thickness on the effective exchange coupling strength…
Using combinatorial optimisation techniques we study the critical properties of the two- and the three-dimensional Ising model with uniformly distributed random antiferromagnetic couplings $(1 \le J_i \le 2)$ in the presence of a…
We derive ab inito exchange parameters for general non-collinear magnetic configurations, in terms of a multiple scattering formalism. We show that the general exchange formula has an anisotropic-like term even in the absence of spin-orbit…
We unify the method of exchange perturbation theory for multicenter systems. For the case of exchange degeneracy in the total spin of the system we give a secular equation that is more compact and convenient for calculations than those…
We present our studies on polycrystalline samples of fluorine doped LaMnO3 (LaMnO3-yFy). LaMnO2.5F0.5 exhibits remarkable magnetic and electrical properties. It shows ferromagnetic and metallic behavior with a high Curie temperature of ~…
Inelastic neutron scattering (INS) provides direct insights into microscopic magnetic interactions in crystalline materials, making it a valuable experimental technique in condensed matter physics and materials science. These interactions…
We have used the Kubo formula to calculate the temperature dependence of the electrical conductance of the double exchange Hamiltonian. We average the conductance over an statistical ensemble of clusters, which are obtained by performing…
We study the combined effect of temperature and disorder in the spacer on the interlayer exchange coupling. The temperature dependence is treated on ab initio level. We employ the spin-polarized surface Green function technique within the…
First-principles calculations, in combination with the four-state energy mapping method, are performed to extract the magnetic interaction parameters of multiferroic BiFeO$_3$. Such parameters include the symmetric exchange (SE) couplings…
Magnetic phases for the intermetallic compound NdMn1.4Co0.6Si2 have been investigated at various temperatures by dc magnetization, neutron diffraction and neutron depolarization. Our study shows multiple magnetic phase transitions with…
Inelastic neutron scattering measurements were performed on the ferromagnetic chain system CsNiF_3 in the collinear antiferromagnetic ordered state below T_N = 2.67K. The measured spin wave dispersion was found to be in good agreement with…
We present a first principles supercell methodology for the calculation of exchange interactions of magnetic materials with arbitrary degrees of structural and chemical disorder in their high temperature paramagnetic state. It is based on a…
The effect of 16O-18O isotope exchange on the electric resistivity was studied for (La(1-y)Pr(y))0.7Ca0.3MnO3 ceramic samples. Depending on y, this mixed perovskite exhibited different types of low-temperature behavior ranging from…
Characteristic temperatures in ferromagnetic - antiferromagnetic exchange biased systems are analyzed. In addition to usual blocking temperature of exchange bias $T_{B}$, and the N\'{e}el temperature of an antiferromagnet $T_{N}$, the…
We study a frustrated quantum Ising model relevant for Ca$_3$Co$_2$O$_6$ that consists of a triangular lattice of weakly-coupled ferromagnetic (FM) chains. According to our quantum Monte Carlo simulations, the chains become FM and form a…
We investigate the temperature evolution of the structural parameters of potential ferrotoroidic LiFeSi2O6 compound across structural and magnetic phase transitions. The structural transition (TS)is around 220K and the paramagnetic to…