Related papers: Temperature-driven hidden 5f itinerant-localized c…

Plutonium dioxide is of high technological importance in nuclear fuel cycle and is particularly crucial in long-term storage of Pu-based radioactive waste. Using first-principles density-functional theory, in this paper we systematically…

We investigate the quantum transport properties of surface electrons on a topological insulator Bi2Te3 nanowire in a magnetotransport study. Although the nanowires are synthesized by using a relatively coarse method of electrochemical…

We solve the 3D periodic Anderson model via two impurity DMFT. We obtain the temperature v.s. hybridization phase diagram. In approaching the quantum critical point (QCP) both the Neel and lattice Kondo temperatures decrease and they do not…

The temperature dependence of exchange bias properties are studied in polycrystalline $ \mathrm{BiFeO_3} / \mathrm{Ni_{81}Fe_{19}} $ bilayers, for different $ \mathrm{BiFeO_3} $ thicknesses. Using a field cooling protocol, a non-monotonic…

Ab-initio relativistic dynamical mean-field theory is applied to resolve the long-standing controversy between theory and experiment in the "simple" face-centered cubic phase of plutonium called delta-Pu. In agreement with experiment,…

The temperature dependent stepwise deprotonation of 5,10,15,20-tetra(p-hydroxyphenyl)porphyrin is investigated using photoelectron spectroscopy. An abundance of pyrrolic relative to iminic nitrogen and a decrease in the ratio of the amount…

The electron-phonon interaction contribution to the electronic energies is included in density functional total energy calculations with ab initio pseudopotentials via the Allen formalism [Phys. Rev. B 18, 5217 (1978)] to obtain temperature…

Structural, elastic and electronic band structure properties of A-15 type Nb-based intermetallic compounds Nb3B (B = Os, Pt, Au) have been revisited using first principles calculations based on the density functional theory (DFT). All these…

The electronic structure and thermodynamical properties of uranium trihydrides ($\alpha$-UH$_{3}$ and $\beta$-UH$_{3}$) have been studied using first-principles density functional theory. We find that inclusion of strong electronic…

We investigated CeCoIn$_5$ and LaCoIn$_5$ single crystals, which have the same HoCoGa$_5$-type tetragonal crystal structure, using infrared spectroscopy. However, while CeCoIn$_5$ has 4$f$ electrons, LaCoIn$_5$ does not. By comparing these…

To unravel the interplay between the strong electronic correlation and itinerant-localized dual nature in atypical f electron systems, we employed the density functional theory in combination with the single-site dynamical mean-field theory…

We investigate the origin of exoticity in Fe-based systems via studying the Fermiology of CaFe2As2 employing Angle Resolved Photoemission spectroscopy (ARPES). While the Fermi surfaces (FSs) at 200 K and 31 K are observed to exhibit two…

We investigate the electronic structure of americium (Am) across its four experimentally confirmed high-pressure phases Am-I (P63/mmc), Am-II (Fm-3m), Am-III (Fddd), and Am-IV (Pnma) up to 100 GPa, using density functional theory combined…

The high-transition-temperature (high-Tc) superconductivity discovered recently in iron pnictides is analyzed within a perturbation theory. Specifically, the probable pairing symmetry, the doping dependence of the transition temperature and…

In view of the recent experimental facts in the iron-pnictides, we make a proposal that the itinerant electrons and local moments are simultaneously present in such multiband materials. We study a minimal model composed of coupled itinerant…

In this work we investigate temperature dependence of electronic structure of system with strong electronic correlations and strong electron-phonon interaction modeling cuprates in the frameworks of the three-band p-d-Holstein model by a…

The paper deals with the U based compound UPt$_2$Si$_2$ (UPS). The material was first treated as a localized 5f-electron system. Later, an opposite opinion of a predominantly itinerant nature of the system was put forward. The most recent…

The resistivity around the ferromagnetic transition temperature in the double exchange model is studied by the Schwinger boson approach. The spatial spin correlation responsible for scattering of conduction electrons are taken into account…

We present measurements of the thermoelectric power of the plutonium-based unconventional superconductor PuCoGa$_{5}$. The data is interpreted within a phenomenological model for the quasiparticle density of states of intermediate valence…

We use scanning tunneling microscopy to study the temperature evolution of electronic structure in Ca3Cu2O4Cl2 parent Mott insulator of cuprates. We find that the upper Hubbard band moves towards the Fermi energy with increasing…