Related papers: Zeeman interaction and Jahn-Teller effect in $\Gam…
Theoretical studies on M$_{13}$ (M = Fe, Co, Ni) and M$_{13}$Pt$_n$ (for $n$ = 3, 4, 5, 20) clusters including the spin-orbit coupling are done using density functional theory. The magnetic anisotropy energy (MAE) along with the spin and…
A general constructive procedure is presented for analyzing magnetic instabilities in two-dimensional materials, in terms of [predominantly] double nesting, and applied to Hartree-Fock HF+RPA and Gutzwiller approximation GA+RPA calculations…
Multipolar interactions are derived in the orbitally degenerate Anderson lattice with a spherical Fermi surface and one conduction electron per unit cell of the simple cubic lattice. As the crystalline-electric-field (CEF) ground state of…
The double-exchange model for the Mn oxides with orbital degeneracy is studied with including on-site Coulomb repulsion, Jahn-Teller (J-T) coupling and doping-induced disorder. In the strong interaction limit, it is mapped onto a…
We investigate the electronic structure and magnetic properties of a $J_\text{eff} = 1/2$ iridate Ca$_4$IrO$_6$ and the implications of doping electrons and holes using ab initio density functional theory. Our calculations considering…
We discuss the effect of magnetic impurities on the inelastic scattering and dephasing of electrons. Magnetic impurities mediate the energy exchange between electrons. This mechanism is especially effective at small energy transfers $E$ in…
We study the effect of spin-phonon coupling in small magnetic clusters, concentrating on a S=1/2 ring of 4 spins coupled antiferromagnetically. If the phonons are treated as classical variables, there is a critical value of the spin-phonon…
We investigate the Josephson transport through a thin semiconductor barrier containing impurity centers with the on-site Hubbard interaction $u$ of an arbitrary sign and strength. We find that in the case of the repulsive interaction the…
Interelectron interactions and correlations in quantum dots can lead to spontaneous symmetry breaking of the self-consistent mean field resulting in formation of Wigner molecules. With the use of spin-and-space unrestricted Hartree-Fock…
Neutron diffraction measurement on the spin glass double perovskite Sr$_2$FeCoO$_6$ reveals site disorder as well as Co$^{3+}$ intermediate spin state. In addition, multiple valence states of Fe and Co are confirmed through M\"{o}ssbauer…
The magnetic and electronic structures of $3d$ impurity atoms from Sc to Zn in ferromagnetic body-centered cubic iron are investigated using the all-electron full-potential linearized augmented plane-wave method based on the generalized…
The low-temperature orthorhombic (LTO) phase transition in La$_{2-x}$Sr$_x$CuO$_4$ can be interpreted as a dynamic Jahn-Teller effect, in which the degenerate electronic states are associated with the large densities of states at the two…
Using high resolution X-Ray diffraction (XRD) on high purity powders, we resolved the structure and $ab$ symmetry of the intriguing compound \svo$ $ from room temperature down to 20 K to an unprecedented level of accuracy. Upon cooling,…
Zn0.96Mn0.04O samples were synthesized by solid state reaction technique to explore their magnetic behavior. Structural, morphological and magnetic properties of the samples have been found to be modified by 50 MeV Li+3 ion beam…
We present the results of an ab initio study of magnetic properties of Fe, Co and Ni surfaces. In particular, we discuss their electronic structure and magnetic exchange interactions (Jij), as obtained by means of a combination of density…
We theoretically investigate the impurity levels and exchange interaction between magnetic impurities in graphene driven by an off-resonant circularly polarized light field. Our analysis captures the non-perturbative effects resulting from…
The formation of the magnetic moment in C- and N-doped MgO is the result of a delicate interplay between Hund's coupling, hybridization and Jahn-Teller distortion. The balance depends on a number of environmental variables including…
Cubic to tetragonal distortion in spinel compounds have been a contentious issue for last two decades. Different groups have proposed different mechanisms to understand such a distortion in these spinels, which are: (i) spin lattice…
We study the electron transport in a magnetically doped three dimensional topological insulator (TI) by taking the effects of impurity-impurity exchange interactions into account. The interactions between magnetic impurities give rise to…
The Jahn-Teller effect (JTE) is central to the understanding of the physical and chemical properties of a broad variety of molecules and materials. Whereas the manifestations of the JTE on stationary properties of matter are relatively well…