Related papers: Valence Fluctuations and Quasiparticle Multiplets …
The electronic structure of some europium chalcogenides and pnictides is calculated using the {\it ab-initio} self-interaction corrected local-spin-density approximation (SIC-LSD). This approach allows both a localised description of the…
Impurity scattering is found to lead to quasi-one dimensional nanoscale modulation of the local density of states in the iron pnictides and chalcogenides. This `quasiparticle interference' feature is remarkably similar across a wide variety…
Electronic Coulomb correlations lead to characteristic signatures in the spectroscopy of transition metal pnictides and chalcogenides: quasi-particle renormalizations, lifetime effects or incoherent badly metallic behavior above relatively…
Some of the most remarkable phenomena---and greatest theoretical challenges---in condensed matter physics arise when $d$ or $f$ electrons are neither fully localized around their host nuclei, nor fully itinerant. This localized/itinerant…
We use a density-functional-theory (DFT) approach with a modified Becke-Johnson exchange plus local density approximation (LDA) correlation potential (mBJLDA) [semi-local, orbital-independent, producing accurate semiconductor gaps. see F.…
The valence fluctuations which are related to the charge disproportionation of phosphorous ions $P^{4+} + P^{4+}\rightarrow P^{3+} + P^{5+}$ are the origin of ferroelectric and quantum paraelectric states in Sn(Pb)$_2$P$_2$S$_6$…
A fluctuating-valence impurity in a metal is quantum-critical unlike a Kondo impurity which has the properties of a local Fermi-liquid. A systematic theory for the fluctuating-valence lattice is constructed, based on the hybridization and…
To elucidate the localized-itinerant dual nature and orbital dependent correlations of Pu-5f valence electrons in plutonium borides (PuBx, x=1, 2, 6, 12), the electronic structures are throughout investigated by using the combination of…
We present a dynamical mean field theory study of the valence transition ($f^{14} \to f^{13}$) in elemental, metallic Yb under pressure. Our calculations reproduce the observed valence transition as reflected in the volume dependence of the…
The valence orders at $T_a=125$ K and $T_b=105$ K in the cubic compound YbPd have been investigated by $^{105}$Pd-nuclear magnetic resonance (NMR) measurements. Significant decrease in the density of states at the Fermi energy below $T_a$…
Neutron diffraction experiments on TmTe at pressures up to 7 GPa are reported. The semiconductor-to-metal transition occurring at 2 GPa in this compound is accompanied by the appearance of strong ferromagnetic exchange interactions…
I study an Extended Periodic Anderson Model (EPAM) with non-local hybridisation, $V_{fc}$, and a coulomb interaction, $U_{fc}$, between localised $f$ electrons and wide band conduction ($c$) electrons. Within DMFT, a quantum phase…
We have studied the electronic structure of RuP and related Ru pnictides using photoemission spectroscopy. Ru 3d core-level and valence-band spectra of RuP show that the Ru valence is +3 with t_{2g}^5 configuration. The photoemisson…
Ubiquity of unconventional phenomena observed in a series of heavy fermion metals is discussed on the basis of an idea of critical valence fluctuations. After surveying experimental aspects of these unconventional behaviors in prototypical…
Plutonium-based compounds establish an ideal platform for exploring the interplay between long-standing itinerant-localized 5$f$ states and strongly correlated electronic states. In this paper, we exhaustively investigate the correlated…
The correlated electronic structure of iron, cobalt and nickel is investigated within the dynamical mean-field theory formalism, using the newly developed full-potential LMTO-based LDA+DMFT code. Detailed analysis of the calculated electron…
We study valence fluctuations in the extended Anderson model on two-dimensional Penrose lattice, using the real-space dynamical mean-field theory combined with the continuous-time Monte Carlo method. Calculating $f$-electron number, $c$-$f$…
We investigated CeNi9In2 compound, which has been considered as a mixed valence (MV) system. Electrical resistivity vs. temperature variation was analysed in terms of the model proposed by Freimuth for systems with unstable 4f shell. At low…
An accurate density-functional method is used to study systematically half-metallic ferromagnetism and stability of zincblende phases of 3d-transition-metal chalcogenides. The zincblende CrTe, CrSe, and VTe phases are found to be excellent…
We analyze quantum fluctuation effects at the onset of incommensurate $2k_F$ charge- or spin-density wave order in two-dimensional metals, for a model where the ordering wave vector $\boldsymbol{Q}$ connects a single pair of hot spots on…