ﻻ يوجد ملخص باللغة العربية
We investigated the electronic structures of the perovskite-type 4$d$ transition metal oxides Sr$M$O$_3$ ($M$ = Zr, Mo, Ru, and Rh) using their optical conductivity spectra $sigma (omega)$. The interband transitions in $sigma (omega)$ are assigned, and some important physical parameters, such as on-site Coulomb repulsion energy $U$, charge transfer energy $Delta_{pd}$, and crystal field splitting $10Dq$, are estimated. It is observed that $Delta _{pd}$ and 10$Dq$ decrease systematically with the increase in the atomic number of the 4$d$ transition metal. Compared to the case of 3$d$ transition metal oxides, the magnitudes of $Delta_{pd}$ and 10$Dq$ are larger, but those of $U$ are smaller. These behaviors can be explained by the more extended nature of the orbitals in the 4$d$ transition metal oxides.
We investigated the electronic structures of the two-dimensional layered perovskite Sr$_{2}$textit{M}O$_{4}$ (textit{M}=4textit{d} Ru, 4textit{d} Rh, and 5textit{d} Ir) using optical spectroscopy and polarization-dependent O 1textit{s} x-ray absorpti
One way to induce insulator to metal transitions in the spin-orbit Mott insulator Sr2IrO4 is to substitute iridium with transition metals (Ru, Rh). However, this creates intriguing inhomogeneous metallic states, which cannot be described by a simple
During the last decade, ab initio methods to calculate electronic structure of materials based on hybrid functionals are increasingly becoming widely popular. In this Letter, we show that, in the case of small gap transition metal oxides, such as VO2
We have performed systematic tight-binding (TB) analyses of the angle-resolved photoemission spectroscopy (ARPES) spectra of transition-metal (TM) oxides A$M$O$_3$ ($M=$ Ti, V, Mn, and Fe) with the perovskite-type structure and compared the obtained
The quasiparticle band structures of nonmagnetic monoxides, MO (M=Mg, Ca, Ti, and V), are calculated by the GW approximation. The band gap and the width of occupied oxygen 2p states in insulating MgO and CaO agree with experimental observation. In me