Related papers: Tight-binding and density-functional study of the …
Motivated by the recent discovery of Dirac nodal line in the single-component molecular conductor [Pt(dmdt)$_{2}$], we propose a three-orbital tight-binding model based on the Wannier fitting of the first-principles calculation, and address…
Parameterized tight-binding models fit to first principles calculations can provide an efficient and accurate quantum mechanical method for predicting properties of molecules and solids. However, well-tested parameter sets are generally…
The electronic structure of two V-based ladder compounds, the quarter-filled NaV$_2$O$_5$ in the symmetric phase and the iso-structural half-filled CaV$_2$O$_5$ is investigated by ab initio calculations. Based on the bandstructure we…
Resonance Raman scattering, which probes electrons, phonons and their interplay in crystals, is extensively used in two-dimensional materials. Here we investigate Raman modes in MoSe$_2$ at different laser excitation energies from 2.33 eV…
A variational formulation for the calculation of interacting fermion systems based on the density-matrix functional theory is presented. Our formalism provides for a natural integration of explicit many-particle effects into standard…
We suggest a simple experimental method for probing antiferromagnetic spin correlations of two-component Fermi gases in optical lattices. The method relies on a spin selective Raman transition to excite atoms of one spin species to their…
We compute the overlap Dirac spectrum on three gauge ensembles generated using $2+1$-flavor domain wall fermions. The three ensembles have different lattice spacings and two of them have quark masses tuned to the physical point. The…
We discuss the lattice formulation of gauge theories with fermions in arbitrary representations of the color group, and present the implementation of the RHMC algorithm for simulating dynamical Wilson fermions. A first dataset is presented…
An exactly solvable model of two-component interacting Fermi vapour in two dimension within Thomas Fermi approach has been proposed. We assume a realistic off-diagonal s-wave interaction between fermions in the two hyperfine states. The…
We predict the magnetic and electronic properties of a novel metal-organic framework. By combining density functional theory and density matrix renormalization group approaches, we find the diatomic Kagome crystal structure of the…
Recently, the interplay between the Dirac/Weyl fermion and various bulk properties, such as magnetism, has attracted considerable attention, since unconventional transport and optical phenomena were discovered. However, the design…
Dirac points lie at the heart of many fascinating phenomena in condensed matter physics, from massless electrons in graphene to the emergence of conducting edge states in topological insulators [1, 2]. At a Dirac point, two energy bands…
For a newly discovered iron-based high T_c superconducting parent material KFe2Se2, we present an effective three-dimensional five-orbital tight-binding model by fitting the band structures. The three t2g-symmetry orbitals of the five Fe 3d…
A wide range of materials, like d-wave superconductors, graphene, and topological insulators, share a fundamental similarity: their low-energy fermionic excitations behave as massless Dirac particles rather than fermions obeying the usual…
Strongly interacting fermions define the properties of complex matter at all densities, from atomic nuclei to modern solid state materials and neutron stars. Ultracold atomic Fermi gases have emerged as a pristine platform for the study of…
We calculate the temperature dependence of NMR relaxation rate and electrical resistivity for coupling to a local, strongly anharmonic phonon mode. We argue that the two-phonon Raman process is dominating NMR relaxation. Due to the strong…
We calculate the far-field stress-energy tensor of a quark gluon plasma due to a heavy-quark meson moving through it, using a semi-classical description in string theory of the meson as a string hanging into anti-de Sitter space. We find…
The Wigner crystal of composite fermions is a strongly correlated state of complex emergent particles, and therefore its unambiguous detection would be of significant importance. Recent observation of optical resonances in the vicinity of…
Strongly interacting one-dimensional (1D) Bose-Fermi mixtures form a tunable XXZ spin chain. Within the spin-chain model developed here, all properties of these systems can be calculated from states representing the ordering of the bosons…
In the presence of an external magnetic field, the optical response of two-dimensional materials, whose charge carriers behave as massless Dirac fermions with arbitrary anisotropic Fermi velocity, is investigated. Using Kubo formalism, we…