相关论文: Orbital physics in transition metal compounds: new…
Motivated by the recent activities on the Ni-based diamond lattice antiferromagnet NiRh$_2$O$_4$, we theoretically explore on a general ground the unique spin and orbital physics for the Ni$^{2+}$ ions with a $3d^8$ electron configuration…
Interfacial orbital transport remains far less understood than its bulk counterpart despite its central role in orbitronic experiments. Here, we theoretically investigate the transmission and conversion of orbital angular momentum across a…
Although mass transfer (MT) has been studied primarily in circular binaries, observations show that it also occurs in eccentric systems. We investigate orbital evolution during nonconservative MT in eccentric orbits, a process especially…
Previous work on the physical content of exchange correlation functionals that depend on both charge and spin densities is extended to elemental transition metals and a wider range of perovskite transition metal oxides. A comparison of…
Quantum oxide materials possess a vast range of properties stemming from the interplay between the lattice, charge, spin and orbital degrees of freedom, in which electron correlations often play an important role. Historically, the…
We discuss Mott insulating and metallic phases of a model with $e_g$ orbital degeneracy to understand physics of Mn perovskite compounds. Quantum Monte Carlo and Lanczos diagonalization results are discussed in this model. To reproduce…
Magnetism in transition metal compounds is usually considered starting from a description of isolated ions, as exact as possible, and treating their (exchange) interaction at a later stage. We show that this standard approach may break down…
We report a quantum phase transition between orbital-selective Mott states, with different localized orbitals, in a Hund's metals model. Using the density matrix renormalization group, the phase diagram is constructed varying the electronic…
The role of the orbital degrees of freedom is studied theoretically for the spin dynamics of $R_{1-x}A_x$MnO$_3$. Based on the meanfield solution, an RPA calculation has been done and it is found that the $d_{x^2-y^2}$-type orbital is…
The deviation of positions of atoms from their ideal lattice sites in crystalline solid state systems causes distortion and can lead to variation in structural [1] and functional properties [2]. Distortion in molecular systems has been…
We investigate the spin and orbital correlations of a superexchange model with spin $S=1$ and orbital $L=1$ relevant for $5d^4$ transition metal Mott insulators, using exact diagonalization and density matrix renormalization group (DMRG).…
Spin-orbit coupling plays a pivotal role in condensed matter physics. For instance, spin-orbit interactions affect the magnetization and transport dynamics in solids, while spins and momenta are locked in topological matter. Alternatively,…
Orbital degrees of freedom mediating an interaction between spin and lattice were predicted to raise strong magnetoelectric effect, i.e. realize an efficient coupling between magnetic and ferroelectric orders. However, the effect of orbital…
We combine high-resolution resonant inelastic x-ray scattering with cluster calculations utilizing a recently derived effective magnetic scattering operator to analyze the polarization, excitation energy, and momentum dependent excitation…
Spectra of one-electron and collective excitations in narrow-band ferromagnets with unquenched orbital moments are calculated in various theoretical models. The interaction of spin and orbital excitations with conduction electrons results…
We investigate the metal-insulator transition in the layered Ruddelsden Popper series of strontium iridates Srn+1IrnO3n+1. Tight-binding models of t2g orbitals for n = 1, 2, and infinity are constructed, and changes in band dispersion due…
The interplay of charge, spin and lattice degrees of freedom is studied for quasi-one-dimensional electron and spin systems coupled to quantum phonons. Special emphasis is put on the influence of the lattice dynamics on the Peierls…
In the Li1-xNaxNiO2 solid solutions three different single phase regions exist: for x > 0.9, forx = 0.7 and for x < 0.3. Although the intermediate compound does not show the cooperative Jahn-Teller transition of NaNiO2, its magnetic…
Based on recent experiments, we describe the Mott insulating, but undimerized state of $TiOCl$ using the local-density approximation combined with multi-orbital dynamical mean field theory (LDA+DMFT) for this $3d^{1}$ system.Good agreement…
We consider small ballistic quantum dots weakly coupled to the leads in the chaotic regime and look for significant spin-orbit effects. We find that these effects can become quite prominent in the vicinity of degeneracies of many-body…