Related papers: Overhauser's spin-density wave in exact-exchange s…
Recent experiments indicate that the spin-density waves (SDWs) in (TMTTF)_2Br, (TMTSF)_2PF_6 and alpha-(BEDT-TTF)_2MHg(SCN)_4 are highly unconventional and coexist with charge-density waves (CDWs). We present a microscopic theory of this…
In the conventional theory of density wave ordering in metals, the onset of spin density wave (SDW) order co-incides with the reconstruction of the Fermi surfaces into small 'pockets'. We present models which display this transition, while…
We present the theory and implementation of a fully variational wave function -- density functional theory (DFT) hybrid model, which is applicable to many cases of strong correlation. We denote this model the multiconfigurational…
We present a spin-dependent extension of the non-orthogonal generalized Wannier function (NGWF) formalism within the framework of linear-scaling density functional theory (LS-DFT) as implemented in the ONETEP code. In traditional LS-DFT…
We study a single component (i.e., single valley, spin-polarized) two-dimensional electron gas with $C_{3v}$ symmetry tuned to a Van-Hove (VH) singularity. Generically, there may be either three or six VH points at the Fermi level, related…
Tailored optical excitations can steer a system along non-equilibrium pathways to metastable states with specific structural or electronic properties. The light-induced hidden state of 1T-TaS$_{2}$, with its strongly enhanced conductivity…
We find the analytical solution to the time-dependent density-functional theory (TDDFT) problem for the quasi-low-dimensional (2D and 1D) electron gas (QLDEG) with only one band filled in the direction perpendicular to the system extent.…
A novel spin density wave (SDW) instability mechanism enhanced by vortices under fields is proposed to explain the high field and low temperature (HL) phase in CeCoIn$_5$. In the vortex state the strong Pauli effect and the nodal gap…
The Hartree-Fock ground state of the Homogeneous Electron Gas is never translation invariant, even at high densities. As proved by Overhauser, the (paramagnetic) free Fermi Gas is always unstable under the formation of spin or charge…
The uniform electron gas (UEG), a hypothetical system with finite homogenous electron density composed by an infinite number of electrons in a box of infinite volume, is the practical pillar of density-functional theory (DFT) and the…
We construct three-orbital tight-binding models describing single-component molecular conductors [Pt(dmdt)$_2$] and [Ni(dmdt)$_2$] using first-principles calculations. We show that [Ni(dmdt)$_2$] is a Dirac nodal line system with highly…
We study topological properties of density wave states with broken translational symmetry in two-dimensional multi-orbital systems with a particular focus on t$_{2g}$ orbitals in square lattice. Due to distinct symmetry properties of…
We derive the effective action describing the long-wavelength low-energy collective modes of quasi-one-dimensional spin-density-wave (SDW) systems, starting from the Hubbard model within weak coupling approximation. The effective action for…
A model study for the coexistence of the spin density wave and superconductivity is presented. With reference to the recent angle resolved photo emmission experimental data in high T_c cuprates, presence of the nested pieces of bands is…
Thermal conductivity measurements can provide key and experimentally verifiable insight into the electronic transport of unconventional superconductors. In this work, electronic thermal transport of two-dimensional tight-binding metallic…
We numerically investigate the Spin Density Functional theory for superconductors (SpinSCDFT) and the approximated exchange-correlation functional, derived and presented in the preceding paper I. As a test system we employ a free electron…
Pair-density waves (PDW) are superconducting states that spontaneously break translation symmetry in systems with time-reversal symmetry (TRS). Evidence for PDW has been seen in several recent experiments, as well as in the pseudogap regime…
We calculate, via spin density functional theory (SDFT) and exact diagonalization, the eigenstates for electrons in a variety of external potentials, including double and triple dots. The SDFT calculations employ realistic wafer profiles…
The coexistent state of the spin density wave (SDW) and the charge density wave (CDW) in the one-dimensional quarter-filled system and with the Coulomb interaction up to the next-nearest sites under magnetic fields is studied. It is found…
We performed optical spectroscopy measurement on single crystals of BaFe$_2$As$_2$ and SrFe$_2$As$_2$, the parent compounds of FeAs based superconductors. Both are found to be quite metallic with fairly large plasma frequencies at high…