Related papers: Study of Ce intermetallic compounds: an LDA classi…
Hybridization between Ce $f$ and conduction $d$ states has been speculatively known to be one of the mechanisms responsible for magnetic instability of the ferromagnetic ground state of CeFe$_2$. Substituting Fe by small amounts of certain…
The electronic structure and magnetic properties of a single Fe adatom on a CuN surface have been studied using density functional theory in the local spin density approximation (LSDA), the LSDA+U approach and the local density…
Materials with interesting physical properties are often designed based on our understanding of the target physical effects. The physical properties can be either explicitly observed ("apparent") or concealed by the perceived symmetry…
The effects of high magnetic fields applied perpendicular to the spontaneous ferroelectric polarization on single crystals of BiFeO$_3$ were investigated through magnetization, magnetostriction, and neutron diffraction measurements. The…
Various phenomena related to inhomogeneous magnetoelectric interaction are considered. The interrelation between spatial modulation of order parameter and electric polarization, known as flexoelectric effect in liquid crystals, in the case…
A BCS-like variational wave-function, which is exact in the infinite field limit, is used to study the interplay among Zeeman energies, lateral confinement and particle correlations induced by the Coulomb interactions in strongly pumped…
Motivated by the search for design principles of rare-earth-free strong magnets, we present a study of electronic structure and magnetic properties of the ferromagnetic metal Fe3GeTe2 within local density approximation (LDA) of the density…
We have performed soft and hard X-ray photoemission spectroscopies on NdTi2Al20 and NdBe13 which show antiferromagnetic ordering at low temperatures. The Nd 3d core-level photoemission and Nd 3d-4f valence-band resonant photoemission…
The electronic structure of the monoclinic structure of Fe$_3$O$_4$ is studied using both the local density approximation (LDA) and the LDA+$U$. The LDA gives only a small charge disproportionation, thus excluding that the structural…
Searching for new functionality in next generation electronic devices is a principal driver of material physics research. Multiferroics simultaneously exhibit electric and magnetic order parameters that may be coupled through…
The magnetic field of complete spin polarization is calculated in a disorderless single-valley strongly-interacting 2D electron system. In the metallic region above the Wigner-Mott transition, non-equilibrium spin states are predicted,…
We perform ab initio electronic structure calculations of the intermetallic compound CeFeGe3 by means of the Tight Binding Linear Muffin-Tin Orbitals-Atomic Sphere Approximation (TB-LMTO-ASA) within the Local Spin Density Approximation…
A new method of computing multipolar exchange interaction in spin-orbit coupled systems is developed using multipolar tensor expansion of the density matrix in LDA+U electronic structure calculation. Within mean-field approximation,…
The nature of low-impurity ferromagnetism remains a challenging problem in the solid-state community. Despite initial experiments dating back to the mid-20th century, a comprehensive theoretical explanation and reliable ab initio…
An accurate analytical parametrization for the exchange-correlation free energy of the homogeneous electron gas, including interpolation for partial spin-polarization, is derived via thermodynamic analysis of recent restricted path integral…
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…
We report a neutron diffraction study of the multiferroic mechanism in (ND4)2FeCl5D2O, a molecular compound that exhibits magnetically induced ferroelectricity. This material exhibits two successive magnetic transitions on cooling: a…
The dimeric form of the single-molecule magnet [Mn$_4$O$_3$Cl$_4$(O$_2$CEt)$_3$(py)$_3$]$_2$ recently revealed interesting phenomena: no quantum tunneling at zero field and tunneling before magnetic field reversal. This is attributed to…
Non-resonant circularly polarized electromagnetic radiation can exert torques on magnetization by the Inverse Faraday Effect (IFE). Here we discuss the enhancement of IFE by spin-orbit interactions (SOI). We illustrate the principle by…
We study in this paper bond distortion effect on electric polarization in spiral multiferroic magnets based on cluster and chain models. The bond distortion break inversion symmetry and modify the $d$-$p$ hybridization. Consequently, it…