2,963 research outputs found

    Hartree–Fock instabilities and electronic properties

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    Hartree-Fock instabilities and electronic properties

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    Exchange Instabilities in Semiconductor Double Quantum Well Systems

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    We consider various exchange-driven electronic instabilities in semiconductor double-layer systems in the absence of any external magnetic field. We establish that there is no exchange-driven bilayer to monolayer charge transfer instability in the double-layer systems. We show that, within the unrestricted Hartree-Fock approximation, the low density stable phase (even in the absence of any interlayer tunneling) is a quantum ``pseudospin rotated'' spontaneous interlayer phase coherent spin-polarized symmetric state rather than the classical Ising-like charge-transfer phase. The U(1) symmetry of the double quantum well system is broken spontaneously at this low density quantum phase transition, and the layer density develops quantum fluctuations even in the absence of any interlayer tunneling. The phase diagram for the double quantum well system is calculated in the carrier density--layer separation space, and the possibility of experimentally observing various quantum phases is discussed. The situation in the presence of an external electric field is investigated in some detail using the spin-polarized-local-density-approximation-based self-consistent technique and good agreement with existing experimental results is obtained.Comment: 24 pages, figures included. Also available at http://www-cmg.physics.umd.edu/~lzheng/preprint/ct.uu/ . Revised final version to appear in PR

    Range-separated density-functional theory with random phase approximation: detailed formalism and illustrative applications

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    Using Green-function many-body theory, we present the details of a formally exact adiabatic-connection fluctuation-dissipation density-functional theory based on range separation, which was sketched in Toulouse, Gerber, Jansen, Savin and Angyan, Phys. Rev. Lett. 102, 096404 (2009). Range-separated density-functional theory approaches combining short-range density functional approximations with long-range random phase approximations (RPA) are then obtained as well-identified approximations on the long-range Green-function self-energy. Range-separated RPA-type schemes with or without long-range Hartree-Fock exchange response kernel are assessed on rare-gas and alkaline-earth dimers, and compared to range-separated second-order perturbation theory and range-separated coupled-cluster theory.Comment: 15 pages, 3 figures, 2 table

    Phase diagram and magnetic collective excitations of the Hubbard model in graphene sheets and layers

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    We discuss the magnetic phases of the Hubbard model for the honeycomb lattice both in two and three spatial dimensions. A ground state phase diagram is obtained depending on the interaction strength U and electronic density n. We find a first order phase transition between ferromagnetic regions where the spin is maximally polarized (Nagaoka ferromagnetism) and regions with smaller magnetization (weak ferromagnetism). When taking into account the possibility of spiral states, we find that the lowest critical U is obtained for an ordering momentum different from zero. The evolution of the ordering momentum with doping is discussed. The magnetic excitations (spin waves) in the antiferromagnetic insulating phase are calculated from the random-phase-approximation for the spin susceptibility. We also compute the spin fluctuation correction to the mean field magnetization by virtual emission/absorpion of spin waves. In the large UU limit, the renormalized magnetization agrees qualitatively with the Holstein-Primakoff theory of the Heisenberg antiferromagnet, although the latter approach produces a larger renormalization
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