相关论文: The origin of a$_{1g}$ and e$_g$' orderings in Na$…
Long range orbital order has been investigated in Fe$_{1-x}$Mn$_x$V$_2$O$_4$ as a function of doping (x) using first principles density functional theory calculations including the effects of Coulomb correlation and spin-orbit interaction…
The incidence of topology on the band structure and physical properties of layered compounds has been extensively studied in semimetals. How those evolve in presence of electronic correlations has been less investigated so far. In the…
In all iron pnictides, the positions of the ligand alternatively above and below the Fe plane create 2 inequivalent Fe sites. This results in 10 Fe 3d bands in the electronic structure. However, they do not all have the same status for an…
The electronic states of Au-induced atomic nanowires on Ge(001) (Au/Ge(001) NWs) have been investigated by angle-resolved photoelectron spectroscopy with linearly polarized light. We have found three electron pockets around…
Based on the Density Functional Theory calculations, we propose a new pathway toward compounds featuring flat [AgF2] layers which mimic [CuO2] layers in high-temperature oxocuprate superconductor precursors. Calculations predict the dynamic…
The high-pressure behaviour of Na$_2$CuF$_4$ is explored by powder neutron diffraction and density functional theory (DFT) calculations. A first-order phase transition is observed to take place between 2.4 - 2.9 GPa, involving a…
Effects of Coulomb correlation on LaOFeAs electronic structure have been investigated by LDA+DMFT(QMC) method. The calculation results show that LaOFeAs is in the regime of intermediate correlation strength with significant part of the…
We propose a theory for the underdoped hole-doped cuprates, focusing on the "nodal-anti-nodal dichotomy" observed in recent experiments. Our theory begins with an ordered antiferromagnetic Fermi liquid with electron and hole pockets. We…
Recent high resolution Compton scattering experiments clearly reveal that there are fundamental limitations to the conventional local density approximation (LDA) based description of the ground state electron momentum density (EMD) in…
The strength and effect of Coulomb correlations in the (superconducting when hydrated) x~1/3 and ``enhanced'' x~2/3 regimes of Na(x)CoO2 are evaluated using the correlated band theory LDA+U method. Our results, neglecting quantum…
The magnetic moment per Co4+ of P2(gamma)-type NaxCoO2 in Curie-Weiss metal regime is revisited and examined under a newly proposed modification of the octahedral crystal electric field (CEF). The proposed model explains the origin of the…
We report direct measurements via angle-resolved photoemission spectroscopy (ARPES) of the electronic dispersion of single-layer CoO$_2$. The Fermi contour consists of a large hole pocket centered at the $\overline{\Gamma}$ point. To…
We study with ARPES the electronic structure of CoO2 slabs, stacked with rock-salt (RS) layers exhibiting a different (misfit) periodicity. Fermi Surfaces (FS) in phases with different doping and/or periodicities reveal the influence of the…
We study a model of two concentric onedimensional rings with incommensurate areas $A_1$ and $A_2$, in a constant magnetic field. The two rings are coupled by a nonhomogeneous inter-ring tunneling amplitude, which makes the one-particle…
Recent quantum oscillation experiments in underdoped high temperature superconductors seem to imply two paradoxes. The first paradox concerns the apparent non-existence of the signature of the electron pockets in angle resolved…
We studied the influence of the trigonal distortion of the regular octahedron along the (111) direction, found in the $\rm CoO_2$ layers. Under such a distortion the $t_{2g}$ orbitals split into one $a_{1g}$ and two degenerated $e_g^\prime$…
We consider a one-dimensional spin-orbit-coupled nanowire quantum dot, driven by external electric and magnetic fields, and theoretically formulate an electric mechanism to interfere its electron orbits. Owing to the existence of spin-orbit…
We investigate the role of correlations in the tetragonal and collapsed tetragonal phases of CaFe2As2 by performing charge self-consistent DFT+DMFT (density functional theory combined with dynamical mean-field theory) calculations. While…
Motivated by recent quantum oscillation observations in the underdoped high-temperature superconductors, the effect of the short-range antiferromagnetic correlations on the electronic properties of the short-ranged d-density wave state is…
We present the results of extended theoretical LDA+DMFT calculations for a new iron-pnictide high temperature superconductor NaFeAs compared with the recent high quality angle-resolved photoemission (ARPES) experiments on this system [1].…