相关论文: Interplay between Structure and Electronic Propert…

Charge ordering accompanied by lattice distortion in quasi-two dimensional organic conductors \theta-(ET)2X (ET=BEDT-TTF) is studied by using an extended Hubbard model with Peierls-type electron-lattice couplings within the Hartree-Fock…

It is still a matter of controversy whether the relative difference in hole and electron transport in solution-processed organic semiconductors is either due to intrinsic properties linked to chemical and solid-state structure or to…

Recently the ferroelectric anomaly (Nad, Monceau, et al) followed by the charge disproportionation (Brown, et al) have been discovered in (TMTTF)2X compounds. The corresponding theory of the combined Mott-Hubbard state describes both…

A framework for developing new approximate electronic structure methods is presented, in which the correlation energy of a many-electron system in the ground state is computed as in the single-reference second-order many-body perturbation…

The concept of electronic correlations plays an important role in modern condensed matter physics. It refers to interaction effects which cannot be explained within a static mean-field picture as provided by Hartree-Fock theory. Electronic…

The equilibrium properties and interminiband transitions for Hartree-interacting two-dimensional electron gas in a one-dimensional chain of planar quantum rings subjected to a transverse homogeneous magnetic field are examined theoretically…

The symmetry-projected Hartree--Fock ansatz for the electronic structure problem can efficiently account for static correlation in molecules, yet it is often unable to describe dynamic correlation in a balanced manner. Here, we consider a…

We investigate equilibrium flux lattice structures in superconductors with unconventional order parameters, such as high-$T_c$ cuprates, using a generalized London model with non-local electrodynamics derived from a simple microscopic…

Different types of angular magnetoresistance oscillations in quasi-one-dimensional layered materials, such as organic conductors (TMTSF)2X, are explained in terms of Aharonov-Bohm interference in interlayer electron tunneling. A…

Motivated by recent experimental studies of hydrogen-bonded molecular conductors $\kappa$-$X_3$(Cat-EDT-TTF)$_2$ [$X$=H, D], interplays of protons and correlated electrons, and their effects on magnetic, dielectric, and optical properties,…

We have investigated the charge carrier transport in organic molecular semiconductors. It has been found that mobility is a function of electric field and temperature due to hopping conduction. Several theoretical models for charge…

We present experimental evidences for a ferro-electric transition in the family of quasi one- dimensional conductors (TMTTF)2X. We interpret this new transition in the frame of the combined Mott-Hubbard state taking into account the double…

Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Land\'e $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks…

We present key issues of related phenomenons of the Ferroelectricity and the Charge Disproportionation in organic metals. In (TMTTF_2X the dielectric susceptibility demonstrates clear cases of the ferroelectric and anti-ferroelectric phase…

Electronic properties of molecular conductors exhibiting antiferromagnetic (AFM) spin order and charge order (CO) owing to electron correlation are studied using first-principles density functional theory calculations. We investigate two…

The electronic structures of the ground state for several different superconducting materials, such as cuprates, conventional 3-dimensional superconductors, doped semiconductors and low-dimensional systems, are quite different and sometimes…

A universal mechanism for strong magnetic-field effects of nonmagnetic organic semiconductors is presented. A weak magnetic field (less than hundreds mT) can substantially change the charge carrier hopping coefficient between two…

This thesis investigates the magnetic, spectral, and transport properties of strongly correlated electronic systems, with a primary focus on the Hubbard model and its extensions relevant for real materials. Within the dynamical mean-field…

We use a mean-field (Hartree-like) approach to study the conductance of a strongly localized electron system in two dimensions. We find a crossover between a regime where Coulomb interactions modify the conductance significantly to a regime…

In order to understand the orbital and spin magnetization of a confined electronic system we analyze these ground state properties in the transition from a quantum dot to a quantum ring of finite thickness. The Coulomb interaction between…