Related papers: Collective excitations in Na$_2$IrO$_3$
This paper reports an implementation of Hartree-Fock linear response with complex orbitals for computing electronic spectra of molecules in a strong external magnetic fields. The implementation is completely general, allowing for…
Optical conductivity measurements are combined with density functional theory calculations in order to understand the electrodynamic response of the frustrated Mott insulators Herbertsmithite $\mathrm{ZnCu_{3}(OH)_{6}Cl_{2}}$ and the…
We study the influence of spin-orbit interactions on quasiparticle dispersions in two-dimensional electron and heavy-hole liquids in III-V semiconductors. To obtain closed-form analytical results, we restrict ourselves to spin-orbit…
Ionization potentials, excitation energies, transition properties, and hyperfine structure constants of the low-lying $3p^6 3d^{9} \ ^2D_{5/2}$, $3p^6 3d^{9} \ ^2D_{3/2}$, $3p^5 3d^{10} \ ^2P_{3/2}$ and $3p^5 3d^{10} \ ^2P_{1/2}$ atomic…
A Kohn-Sham density-functional energy expression is derived for any (ground or excited) state within a given many-electron ensemble along with the stationarity condition it fulfills with respect to the ensemble density, thus giving access…
We used the Hartree-Fock approximation to classify the electronic phases that might occur in a transition metal nanowire. The important features of this situation are orbital degeneracy (or near-degeneracy) and interactions favoring locally…
We report on electronic collective excitations in RMn2O5 (R= Pr, Sm, Gd, Tb) showing condensation starting at and below TN\simTC\sim40-50 K. Its origin is understood as partial delocalized eg electron orbitals in the Jahn-Teller distortion…
We identify dd-excitations in the quasi-one dimensional compound Ca$_2$Y$_2$Cu$_5$O$_{10}$ using resonant inelastic x-ray scattering. By tuning across the Cu L$_3$-edge, we observe abrupt shifts in the dd-peak positions as a function of…
Oxide heterostructures are versatile platforms with which to research and create novel functional nanostructures. We successfully develop one-dimensional (1D) quantum-wire devices using quantum point contacts on MgZnO/ZnO heterostructures…
Using the three-orbital Hubbard model, we investigate the low-energy excitation spectra in the antiferromagnetic phase of Ca$_2$RuO$_4$. We calculate the dynamical susceptibilities in the low-energy region by the random phase approximation…
Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…
It is observed that the exact interacting ground-state electronic energy of interest may be obtained directly, in principle, as a simple sum of orbital energies when a universal density-dependent term is added to $w\left(\left[ \rho…
Accurately describing excited states within Kohn-Sham (KS) density functional theory (DFT), particularly those which induce ionization and charge transfer, remains a great challenge. Common exchange-correlation (xc) approximations are…
We present electrical transport measurements of heterostructures comprised of BaTiO$_3$ and Ba$_{1-x}$Sr$_x$TiO$_3$ epitaxially grown on Ge. The Sr-alloying imparts compressive strain to the BaTiO$_3$, which enables the thermal expansion…
We study the spin-orbit interaction effects in a one-dimensional electron system that result from the image charges in a nearby metallic gate. The nontrivial property of the image-potential-induced spin-orbit interaction (iSOI) is that it…
We present a thorough experimental study of the three-dimensional hyperhoneycomb Kitaev magnet $\beta$-Li$_2$IrO$_3$, using a combination of inelastic neutron scattering (INS), time-domain THz spectroscopy, and heat capacity measurements.…
The two-dimensional electron gas (2DEG) found in KTaO3-based interfaces has garnered attention due to its remarkable electronic properties. In this study, we investigated the conducting system embedded at the Si3N4/Al//KTO(110)…
We present a comparative study of the excitations in bulk and liquid D2 confined within the pores of MCM-41. The material (Mobile Crystalline Material-41) is a silicate obtained by means of a template that yields a partially crystalline…
In two-dimensional (2D) electron systems, an off-resonant high-frequency circularly polarized electromagnetic field can induce the quasi-stationary bound electron states of repulsive scatterers. As a consequence, the resonant scattering of…
Resonant x-ray diffraction experiments were performed for the metallic iridium oxide IrO$_{2}$. We observed anisotropic tensor of susceptibility (ATS) scattering, the spectrum of which shows a sharp contrast between the $L_{3}$ and $L_{2}$…