相关论文: Ligand-metal covalency effects in resonance enhanc…
Experimentation with obliquely incident light established that all four circular reflectances of a chiral sculptured thin film backed by a metallic mirror contain strong evidence of the circular Bragg phenomenon. When the mirror is removed,…
A$_2$BB$^\prime$X$_6$ halide double perovskites based on bismuth and silver have recently been proposed as potential environmentally-friendly alternatives to lead-based hybrid halide perovskites. In particular, Cs$_2$BiAgX$_6$ (X = Cl, Br)…
We report on the electronic structure of the perovskite oxide CaCrO3 using valence-band, core-level, and Cr 2p - 3d resonant photoemission spectroscopy (PES). Despite its antiferromagnetic order, a clear Fermi edge characteristic of a metal…
Quaternary mixed-metal chalcohalides (Sn$_2$BCh$_2$X$_3$) are emerging as promising lead-free perovskite-inspired photovoltaic absorbers. Motivated by recent developments of a first Sn$_2$BCh$_2$X$_3$-based device, we used density…
Methylammonium lead tribromide perovskite (CH3NH3PbBr3, or MAPbBr3) as a photovoltaic material has attracted a great deal of recent interest. Factors that are important in their application in optoelectronic devices include their fractional…
The transmission and reflection spectra from a right-handed chiral sculptured zirconia thin film are calculated using the coupled wave theory and the Bruggeman homogenization formalism in conjunction with the experimental data for the…
What we believe to be a new type of resonant coupling of an incident bulk wave into guided modes of a slab with a thick holographic grating is shown to occur in the presence of strong frequency detunings of the Bragg condition. This happens…
Achieving and controlling strong light-matter interactions in many-body systems is of paramount importance both for fundamental understanding and potential applications. In this paper we demonstrate both experimentally and theoretically how…
Electrodynamical coupled cluster (CC) methodologies have been formulated employing standard QED Hamiltonian that is written in Coulomb gauge while using the DF and the MCDF pictures of the matter field for closed-shell and open-shell cases…
We extend the Weak Crystallization theory to the case of metallic alloys. The additional ingredient -- itinerant electrons -- generates nontrivial dependence of free energy on the angles between ordering wave vectors of ionic density. That…
Magnetite, Fe$_3$O$_4$, displays a highly complex low temperature crystal structure that may be charge and orbitally ordered. Many of the recent experimental claims of such ordering rely on resonant soft x-ray diffraction at the oxygen K…
A material in possession of localized 4f-electron magnetism and delocalized 3d-electron or band magnetism can often present A material in possession of localized 4f-electron magnetism and delocalized 3d-electron or band magnetism can often…
We have investigated the electronic structure of the transition metal oxide Ca3Ru2O7 within density functional theory using the generalized gradient approximation while considering strong Coulomb correlations in the framework of the fully…
Inelastic light scattering from electrons is a symmetry-selective probe of the charge dynamics within correlated materials. Many measurements have been made on correlated insulators, and recent exact solutions in large dimensions explain a…
The electronic structure and chemical bonding of the recently discovered inverse perovskite Sc3AlN, in comparison to ScN and Sc metal have been investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured Sc L, N K, Al L1,…
The enantiomorphous (chiral) crystal class of the Sohncke-type insulator Pb(TiO)Cu4(PO4)4 permits the rotation of the plane of polarization of light (optical activity). Copper ions participate in antiferromagnetic order below a temperature…
Hartree-Fock and coupled-cluster calculations have been performed for cubic AgCl and for AuCl having a cubic or the observed structure with space group I4_1/amd. Cohesive energies and lattice constants are in excellent agreement with…
The phenomenon of collinear correlated photon pairs diffraction by an ultrasonic wave is investigated for Bragg incidence. A BBO crystal was used for producing collinear correlated photon pairs via type-I spontaneous parametric…
Search of chiral magnetic solitons on the basis of the data on the crystal structure is important from both fundamental and technological points of view. Potential chiral magnetic solitons - hexagonal metal formates [NH4][M(HCOO)3] with M2+…
We conduct a comprehensive \textit{ab initio} investigation of electron-electron interactions within the pyrochlore structures of R$_2$Ru$_2$O$_7$, R$_2$Ir$_2$O$_7$, Ca$_2$Ru$_2$O$_7$, and Cd$_2$Ru$_2$O$_7$, where R denotes a rare-earth…