Related papers: Spin-dependent anisotropic electron-phonon couplin…
Despite the wealth of experimental data on the Fe-pnictide compounds of the KFe2As2-type, K = Ba, Ca, or Sr, the main theoretical work based on multiorbital tight-binding models has been restricted so far to the study of the related 1111…
The magnetization of anisotropic quantum dots in the presence of the Rashba spin-orbit interaction has been studied for three interacting electrons in the dot. We observe unique behaviors of magnetization that are direct reflections of the…
Using a point-charge calculation of the electrostatic crystal field, we determine the non-degenerate orbital ground state of the ferromagnetic Mott insulator YTiO3, which is found to agree perfectly with experiment. Based on the orbital…
The equilibrium structure, energy bands, phonon dispersions, and s- and d-channel electron-phonon interactions (EPIs) are calculated for the infinite-layer superconductor CaCuO2 doped with 0.24 holes per CuO2. The LDA and the…
Nonlinear phononics play important role in strong laser-solid interactions. We discuss nonlinear dynamical protocols which allow for efficient excitation and control of nonlinear phonons. We consider recent inspiring proposals: inducing…
We consider a model for the two-dimensional electron gas formed at the interface of oxide heterostructures, which includes a Rashba spin-orbit coupling proportional to the electric field perpendicular to the interface. Based on the standard…
The anisotropy of low energy (0$\sim$5eV) optical excitations in strongly correlated transition-metal oxides is closely related to the spin and orbital orderings. The recent successes of LDA+$U$ method in describing the magnetic and…
Effects of the structural distortion associated with the $\rm OsO_6$ octahedral rotation and tilting on the electronic band structure and magnetic anisotropy energy for the $5d^3$ compound NaOsO$_3$ are investigated using the density…
FePS3 is a layered van der Waals (vdW) Ising antiferromagnet that has recently been studied in the context of true 2D magnetism, and emerged as an ideal material platform for investigating strong spin-phonon coupling, and non-linear…
Anisotropic magnetoresistance and negative magnetoresistance for in-plane fields are compared for the LaAlO3 /SrTiO3 interface and the symmetric Nb-doped SrTiO3 heterostructure. Both effects are exceptionally strong in LaAlO3 /SrTiO3 . We…
Magnetoelectric phase diagrams of the rare-earth (R) Mn perovskites RMnO3 are theoretically studied by focusing on crucial roles of the symmetric magnetostriction or the Peierls-type spin-phonon coupling through extending our previous work…
We have investigated the coupling of lattice with spin via strain interactions in the CoFe2O4/PMN-PT composite system. X-ray diffraction and Raman spectroscopic studies illustrate a remarkable modification in CoFe2O4lattice across Curie…
We calculate the properties of the 4$d$ ferromagnet SrRuO$_3$ in bulk and thin film form with the aim of understanding the experimentally observed metal to insulator transition at reduced thickness. Although the spatial extent of the 4$d$…
Electronic properties of spin polarized antiferromagnetic ACrO3 (A = La, Y) are explored with Hubbard Model using Density Functional Theory (DFT). These two isostructural systems are investigated using the different Hubbard energy and…
The observation of metallic interface between band insulators LaAlO$_3$ and SrTiO$_3$ has led to massive efforts to understand the origin of the phenomenon as well as to search for other systems hosting such two dimensional electron gases…
The mechanism of spin-phonon coupling in high-T$_C$ copper oxides is explored from band calculations on La$_{(2-x)}$Sr$_x$CuO$_4$ and HgBa$_2$CuO$_4$ systems. The LMTO band calculations, based on the local density approximation, are made…
The two-dimensional electron system in (110)Al$_2$O$_{3-\delta}$/SrTiO$_3$ heterostructures displays anisotropic electronic transport. Largest and lowest conductivity and electron mobility $\mu$ are observed along the $[001]$ and…
Starting from the three-band $p-d$ Hubbard Hamiltonian we derive an effective $t-J$ model including electron-phonon interaction of quasiparticles with optical phonons. Within the effective Hamiltonian we analyze the influence of electronic…
The effects of spin and charge fluctuations and electron-phonon couplings on charge ordering in \alpha-(BEDT-TTF)_2I_3 (BEDT-TTF=bis(ethylenedithio)-tetrathiafulvalence) are investigated theoretically for an anisotropic triangular lattice…
The influence of Rashba spin-orbit coupling (SOC) on superconducting correlations in thin-film superconductor/antiferromagnet (S/AF) structures with compensated interfaces is studied. A unique effect of anisotropic enhancement of…