Related papers: Overhauser's spin-density wave in exact-exchange s…
Density functional theory (DFT) is an exact alternative formulation of quantum mechanics, in which it is possible to calculate the total energy, the spin and the charge density of many-electron systems in the ground state. In practice, it…
We consider the possibility of formation of an unconventional spin density wave (USDW) in quasi-one dimensional electronic systems. In analogy with unconventional superconductivity, we develop a mean field theory of SDW allowing for the…
Coarse-grained spin density functional theory (SDFT) is a version of SDFT which works with number/spin densities specified to a limited resolution --- averages over cells of a regular spatial partition --- and external potentials constant…
We use density functional theory (DFT) to explore the physical properties of an $Er_{ W}$ point defect in monolayer $WS_{ 2}$. Our calculations indicate that electrons localize at the dangling bonds associated with a tungsten vacancy…
We present analysis of the interacting quantum wire problem in the presence of magnetic field and spin-orbit interaction. We show that an interesting interplay of Zeeman and spin-orbit terms, facilitated by the electron-electron…
Quantum mechanical methods based on the density functional theory (DFT) offer a realistic possibility of first-principles design of organic donor-acceptor systems and engineered band-gap materials. This promise is contingent upon the…
Orbital-free density functional theory (OF-DFT) provides an alternative approach for calculating the molecular electronic energy, relying solely on the electron density. In OF-DFT, both the ground-state density is optimized variationally to…
Altermagnetism, a recently proposed and experimentally confirmed class of magnetic order, features collinear compensated magnetism with unconventional d-, g-, or i-wave spin order. Here, we show that in a metallic 2D d-wave altermagnet with…
Ensemble density functional theory (eDFT) is an exact time-independent alternative to time-dependent DFT (TD-DFT) for the calculation of excitation energies. Despite its formal simplicity and advantages in contrast to TD-DFT (multiple…
The spin-density wave (SDW) can be considered as a pair of charge density waves (CDWs), one composed only of electrons with up-spins and the other only of electrons with down-spins. The high-temperature superconductivity found in cuprates…
Approximations to the exact density functional for the exchange-correlation energy of a many-electron ground state can be constructed by satisfying constraints that are universal, i.e., valid for all electron densities. Gedanken densities…
We develop a new density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wavefunction which obeys exactly the Gutzwiller approximation for…
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…
We study theoretically the coexistence of the spin-density-wave (SDW) and superconductivity in electron-doped iron-pnictide superconductors based on the two orbital model and Bogoliubov-de Gennes equations. The phase diagram is mapped out…
We show that a result equivalent to Overhauser's famous Hartree-Fock instability theorem can be established for the case of a two-dimensional electron gas in the presence of Rashba spin-obit coupling. In this case it is the spatially…
Spin density wave (SDW) states of a quasi-one-dimensional system with an incommensurate wave vector perpendicular to the chain have been studied in the presence of two kinds of commensurate potentials, which originate in a quarter-filled…
We study the magnetic phases of two coupled two-dimensional electron gases in order to determine under what circumstances these phases may occur in real semiconductor quantum wells and what the experimental properties of the broken-symmetry…
The nature of spin-density wave and its relation with superconductivity are crucial issues in the newly discovered Fe-based high temperature superconductors. Particularly it is unclear whether the superconducting phase and spin density wave…
The evidence for the spin density wave (SDW) nature of the pseudogap in HTSC cuprates is presented from resistive and direct gap measurements (ARPES, tunneling experiments, etc.). Its d-wave symmetry mimics the symmetry of the order…
Spin-current density functional theory (SCDFT) is a formally exact framework designed to handle the treatment of interacting many-electron systems including spin-orbit coupling at the level of the Pauli equation. In practice, robust and…