Related papers: Orbital-selective behavior in Y5Mo2O12 and (Cd,Zn)…
Orbital magnetization typically plays a minor role in compounds where the magnetic properties are governed by transition metal elements. However, in some cases, the orbital magnetization may be fully unquenched, which can have dramatic…
We study the conductivity, density of states, and magnetic correlations of a two dimensional, two band fermion Hubbard model using determinant Quantum Monte Carlo (DQMC) simulations. We show that an orbitally selective Mott transition…
$Fe_3O_4$ is a mixed-valence strongly correlated transition metal oxide which displays the intriguing metal to insulator Verwey transition. Here we investigate the electronic and magnetic structure of $Fe_3O_4$ by a unique combination of…
The orbital magnetic moment of a Co adatom on a Pt(111) surface is calculated in good agreement with experimental data making use of the LSDA+U method. It is shown that both electron correlation induced orbital polarization and structural…
The origin of magnetic frustration was stated and the ions whose shift is accompanied by emerging magnetic ordering and ferroelectricity in TbMn2O5 and BiMn2O5 were determined on the basis of calculation of magnetic coupling parameters by…
Preliminary results on the properties of transition-metal (Ti, V, Cr, Mn, Fe, Co, Ni) $\delta$-doped ZnO are reported. Using \emph{ab-initio} electronic structure calculations the magnetic order is studied assuming both the cubic rock-salt…
The frontier orbital sequence of individual dicyanovinyl-substituted oligothiophene molecules is studied by means of scanning tunneling microscopy. On NaCl/Cu(111) the molecules are neutral and the two lowest unoccupied molecular states are…
We investigate the highly frustrated spin and orbital superexchange interactions in cubic vanadates. The fluctuations of $t_{2g}$ orbitals trigger a {\it novel mechanism of ferromagnetic interactions} between spins S=1 of V$^{3+}$ ions…
Molecular systems are materials that intersect with many different promising fields such as organic/molecular electronics and spintronics, organic magnetism and quantum computing1-7. Particularly, magnetism in organic materials is very…
We examine magnon and orbiton behavior in localized O$_2$ anti-bonding molecular $\pi^*$ orbitals using an effective Kugel-Khomskii Hamiltonian derived from a two band Hubbard model with hopping parameters taken from {\em ab initio} density…
The existence of CEF states and the magnetism in conducting compounds NdAl2, UPd2Al3 and YbRh2Si2 is discussed. We point out that in metallic compounds localized crystal-field states coexist with conduction electrons. These compounds are…
Spin and orbital magnetic moments of cationic iron, cobalt, and nickel clusters have been determined from x-ray magnetic circular dichroism spectroscopy. In the size regime of $n = 10 - 15$ atoms, these clusters show strong ferromagnetism…
Weak localization corrections to conductivity of ferromagnetic systems are studied theoretically in the case when spin-orbit interaction plays a significant role. Two cases are analyzed in detail: (i) the case when the spin-orbit…
We report magnetoresistivity measurements on strongly underdoped YBa_2Cu_3O_x (x=6.25, 6.36) single crystals in applied magnetic fields H || c-axis. We identify two different contributions to both in-plane and out-of-plane…
Quantum magnets with spin $J=2$, which arise in spin-orbit coupled Mott insulators, can potentially display multipolar orders. We carry out an exact diagonalization study of a simple octahedral crystal field Hamiltonian for two electrons,…
The class of transition metal compounds shows an enormous richness of physical properties, such as metal-insulator transitions, colossal magneto-resistance, super-conductivity, magneto-optics and spin-depend transport. It now becomes more…
Spin and orbital magnetic moments of Re in AA'FeReO6 double perovskites (A,A' = Ba, Sr, Ca) have been directly probed employing XMCD spectroscopy at the Re L2,3-edges. A considerable orbital magnetic moment is observed in all the studied…
Metal-insulator transition was microscopically investigated by orbital-resolved nuclear magnetic resonance (OR-NMR) spectroscopy in a single crystal of vanadium dioxide VO$_2$. Observations of the anisotropic $^{51}$V Knight shift and the…
We have investigated electronic structures of antiferromagnetic YBaCo_2O_5 using the local spin-density approximation (LSDA) + U method. The charge and orbital ordered insulating ground state is correctly obtained with the strong on-site…
We explore mechanisms of orbital order decay in doped Mott insulators $R_{1-x}$(Sr,Ca)$_x$VO$_3$ ($R=\,$Pr,Y,La) caused by charged (Sr,Ca) defects. Our unrestricted Hartree-Fock analysis focuses on the combined effect of random, charged…