Related papers: Efficient magnetic superstructure optimization wit…
Ferromagnetic (FM) and incommensurate spin-density wave (ISDW) states are an unusual set of competing magnetic orders that are seldom observed in the same material without application of a polarizing magnetic field. We report, for the first…
We analyze spin density waves (SDWs) in the Hubbard model on a square lattice within the framework of inhomogeneous dynamical mean field theory (iDMFT). Doping the half-filled Hubbard model results in a change of the antiferromagnetic…
We present a semiclassical phase-space method to calculate thermal and ground states of large interacting spin systems. To this end, we extend the recently developed truncated Wigner approximation for spins (TWA) to the imaginary time,…
We propose the $\Theta\Phi$ (Theta-Phi) package which addresses two of the most important extensions of the essentially single-particle mean-field paradigm of the computational solid state physics: the admission of the…
Close to half filling and in the limit of strong interactions the Hubbard model leads a spin Hamiltonian. In its original isotropic form this is the Heisenberg model with antiferromagnetic coupling $J$. On a square lattice there is no…
The recently discovered FeAs-based materials exhibit a $(\pi,0)$ Spin Density Wave (SDW) in the undoped state, which gives way to superconductivity upon doping. Here we show that due to an interesting topological feature of the band…
We investigate the possibility of unconventional spin density wave (SDW) in the attractive Hubbard model with finite spin polarization. We show that pairing and density fluctuations induce the transverse d-wave SDW near the half-filling.…
Current-spin density functional theory (CSDFT) provides a framework to describe interacting many-electron systems in a magnetic field which couples to both spin- and orbital-degrees of freedom. Unlike in usual (spin-) density functional…
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…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
We present a systematic approach for the semiclassical treatment of many-body dynamics of interacting, open spin systems. Our approach overcomes some of the shortcomings of the recently developed discrete truncated Wigner approximation…
Topological insulators (TIs) are materials that are insulating in the bulk but have zero band gap surface states with linear dispersion and are protected by time reversal symmetry. These unique characteristics could pave the way for many…
The induction of spin density wave (SDW) and charge density wave (CDW) orderings in the mixed state of high $T_c$ superconductors (HTS) is investigated by using the self-consistent Bogoliubov-de Gennes equations based upon an effective…
The implementation of an efficient self-consistent field (SCF) method including both scalar relativistic effects and spin-orbit interaction in density functional theory (DFT) is presented. We make use of Gaussian-type orbitals (GTOs) and…
The Hartree-Fock ground state phase diagram of the one-dimensional Hubbard model is calculated, constrained to uniform phases, which have no charge density modulation. The allowed solutions are saturated ferromagnetism (FM), a spiral spin…
We study a unified mechanism for spin-density-wave (SDW) and superconductivity in a minimal model, in which itinerant electrons and local moments coexist as previously proposed for the iron pnictides [EPL, 88, 17010 (2009)]. The phase…
Accurate determination of the full momentum-dependent spin susceptibility $\chi(\mathbf{q}) $ is very important for the description of magnetism and superconductivity. While in principle the formalism for calculating $\chi(\mathbf{q})$ in…
Locality of compact one-electron orbitals expanded strictly in terms of local subsets of basis functions can be exploited in density functional theory (DFT) to achieve linear growth of computation time with systems size, crucial in…
In this paper, we apply the effective potentials in the localization landscape theory (Filoche et al., 2012, Arnold et al., 2016) to study the spectral properties of the incommensurate systems. We uniquely develop a plane wave method for…
$\beta$-TeVO$_4$ is a frustrated spin 1/2 zig-zag chain system,where spin-density-wave (SDW), vector chiral (VC)and an exotic dynamic spin-stripe phase compete at low temperatures. Here we use torque magnetometry to study the anisotropy of…