相关论文: Covalency-driven collapse of strong spin-orbit cou…

Using density functional theory plus self-consistent Hubbard $U$ (DFT$+U_{sc}$) calculations, we have investigated the structural and electronic properties of the rare-earth cobaltites \textit{R}CoO$_3$ (\textit{R} = Pr -- Lu). Our…

Using single crystal inelastic neutron scattering with and without application of an external magnetic field and powder neutron diffraction, we have characterized magnetic interactions in Ba$_3$Cr$_2$O$_8$. Even without field, we found that…

Clusters of single spins form the relevant spin entities in the formation of long-range magnetic order in spin cluster Mott insulators. Such type of spin order bears resemblance to molecular crystals, and we therefore may expect a…

Recent experiments indicate that crystalline graphene multilayers exhibit much of the richness of their twisted counterparts, including cascades of symmetry-broken states and unconventional superconductivity. Interfacing Bernal bilayer…

The orbital motion of electrons in a three-dimensional solid can generate a pseudoscalar magnetoelectric coupling $\theta$, a fact we derive for the single-particle case using a recent theory of polarization in weakly inhomogeneous…

We use the symmetry constrained low energy effective Hamiltonian of iron based superconductors to study the Raman scattering in the normal state of underdoped iron-based superconductors. The incoming and scattered Raman photons couple…

We present a Density Functional Theory (DFT) study of the structural and electronic properties of bare rutile VO$_{2}$(110) surfaces and its oxygen-rich terminations. We discuss the performance of various DFT functionals, including PBE,…

The chiral $Fe_3O(NC_5H_5)_3(O_2CC_6H_5)_6$ molecular cation, with C$_3$ symmetry, is composed of three six-fold coordinated spin-carrying Fe$^{3+}$ cations that form a perfect equilateral triangle. Experimental reports demonstrating the…

We employ first-principles density-functional theory, to perform a comparative investigation of the effect of the spin-orbit coupling (SOC) on the electronic and magnetic properties of three experimentally synthesized and characterized…

The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…

Lack of inversion symmetry in metals breaks SU(2) symmetry which results in spin-splitting of the electronic states at the Fermi level due to various types of spin-orbit coupling (SOC) such as Dresselhaus, Rashba, or Ising (also called…

Emergent phenomena at heterointerfaces are directly associated with the bonding geometry of adjacent layers. Effective control of accessible parameters, such as the bond length and bonding angles, offers an elegant method to tailor…

We have investigated the electronic and optical properties of (Sr$_{1-x}$Ca$_{x}$)$_2$IrO$_4$ (x= 0 - 0.375) and (Sr$_{1-y}$Ba$_y$)$_2$IrO$_4$ (y= 0 - 0.375) epitaxial thin-films, in which the bandwidth is systematically tuned via chemical…

Ilmenites $AB$O$_3$ provide a platform for electron correlation and magnetism on alternatively stacked honeycomb layers of edge-sharing $A$O$_6$ or $B$O$_6$ octahedra. When $A$ and $B$ are $3d$ transition metals, strong electron correlation…

We discuss phenomena arising from the combined influence of electron correlation and spin-orbit coupling, with an emphasis on emergent quantum phases and transitions in heavy transition metal compounds with 4d and 5d elements. A common…

Raman light-scattering experiments in the antiferromagnetic phase of the Cu_2Te_2O_5(Br_(1-x)Cl_x)_2 compounds are analyzed in terms of a dimerized spin model for the tetrahedral Cu-clusters. It is shown that the longitudinal magnetic…

We report the successful growth of high-quality single crystals of \ACVO, a quasi-one-dimensional zigzag chain compound containing Co$^{2+}$ ions, using the optical floating zone method. The crystal growth was stabilized under high-pressure…

We investigate WSe$_2$-MoSe$_2$ heterobilayers with different twist angles $\theta \pm \delta$ between the two layers, by low-frequency Raman scattering. In sufficiently aligned samples with $\theta=0^\circ$, or $\theta=60^\circ$, and…

The vibrational spectra and short-range structure of the brownmillerite-type oxide Ba$_{2}$In$_{2}$O$_{5}$ and its hydrated form BaInO$_{3}$H, are investigated by means of Raman, infrared, and inelastic neutron scattering spectroscopies…

AxFe2-ySe2 (A=K, Rb, Cs) superconductors may show a complex mixture of structural phases even in a single crystal form. A full sphere of the diffraction intensity has been collected, with the help of synchrotron radiation, for Cs0.8Fe1.6Se2…