Related papers: Doping-dependent bandwidth renormalization and spi…
Spin excitations are explored in the electron-doped spin-orbit Mott insulator (Sr$_{1-x}$La$_{x}$)$_3$Ir$_2$O$_7$. As this bilayer square lattice system is doped into the metallic regime, long-range antiferromagnetism vanishes, yet a…
We have performed a systematic study of the emergence of meta-stable states in density functional theory plus Hubbard U (DFT+U ) simulations of NiO, CoO, FeO. Particular attention is given to the spin-polarization of the…
Measurements of the static magnetization, susceptibility and ESR of Gd spin probes have been performed to study the properties of antiferromagnetically ordered La_{2-x-y}Eu_ySr_xCuO_4 (x less or equal 0.02) with the low temperature…
In this study, the structural, electronic and optical properties of Pb doped rutile SnO$_2$ were investigated using the range separated hybrid exchange-correlation functional method. In the calculations, LDA functional was used instead of…
Motivated by the recent experimental observation of a large pressure effect on $T_c$ in Pr$_{1-x}$Sr$_x$NiO$_2$, we study the electronic properties of this compound as a function of pressure for $x=0$ and $0.2$ doping using self-consistent…
Using Resonant Inelastic X-ray Scattering, we measure the paramagnon dispersion and damping of undoped, antiferromagnetic Ca$_2$CuO$_2$Cl$_2$ as well as doped, superconducting Na$_{x}$Ca$_{2-x}$CuO$_2$Cl$_2$. Our estimation of the…
We study the dynamics of a single hole in Li and Sr doped La$_{2}$CuO$_4$ and its extension to a finite hole concentration. We compare the physics of La$_{2-x}$Sr$_x$CuO$_4$ and La$_{2}$Cu$_{1-x}$Li$_x$O$_4$ and explain why these systems…
The crystal structure, resistivity, and magnetic susceptibility of the Li2Ir1-xRuxO3 (x = 0-1) polycrystals have been investigated. We found that the parent antiferromagnetic phase disappears for x > 0.2 and bond dimers appear in the…
We have measured the doping and temperature dependence of lattice vibrations and magnetic excitations in the prototypical doped spin-orbit Mott insulator Sr$_{2-x}$La$_x$IrO$_4$ (x=0, 0.015, and 0.10). Our findings show that the…
We study the distribution of electronic spectral weight in a doped antiferromagnet with various types of charge order and compare to angle resolved photoemission experiments on lightly doped La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) and electron doped…
The nanoscopic magneto-electronic phase separation in doped La1-xSrxCoO3 perovskites was studied with local probes. The phase separation is directly observed by M\"ossbauer spectroscopy in the studied doping range of 0.05 <= x <= 0.25 both…
We calculate the effect of local magnetic moments on the electron-phonon coupling in BaFe$_{2}$As$_{2}+\delta$ using the density functional perturbation theory. We show that the magnetism enhances the total electron-phonon coupling by $\sim…
We report optical reflectivity study on Nd$_{2-x}$Ce$_x$CuO$_4$ over a broad doping range 0$\leq x\leq$0.20. The study reveals a systematic shift of chemical potential with doping. A pronounced peak structure specific to the electron-doped…
Spin-polarized band calculations for LaSr_7B_{48} show a weak ferro-magnetic state. This is despite a low density-of-states (DOS) and a low Stoner factor. The reason for the magnetic state is found to be associated with a gain in potential…
In strongly correlated transition metal dichalcogenides, an intricate interplay of polaronic distortions, stacking arrangement, and electronic correlations determines the nature of the insulating state. Here, we study the response of the…
The structural, electronic, lattice dynamics, electron-phonon coupling, and superconducting properties of the alkali-metal hydride RbH, metalized through electron-doping by the construction of the solid-solution Rb$_{1-x}$Sr$_x$H, are…
The electronic structure of Pr$_{1-x}$Ca$_x$MnO$_3$ has been investigated using a combination of first-principles calculations, X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), electron-energy loss spectroscopy…
We have performed an extensive test of the ability of density functional theory within several approximations for the exchange-correlation functional, local density approximation+Hubbard $U$ and local density approximation + dynamic mean…
We present a theoretical investigation of the effects of correlations on the electronic structure of the Mott insulator Sr$_2$IrO$_4$ upon electron doping. A rapid collapse of the Mott gap upon doping is found, and the electronic structure…
Determining the ground state properties of the two-dimensional Hubbard model has remained an outstanding problem. Applying recent advances in constrained path auxiliary-field quantum Monte Carlo techniques and simulating large rectangular…