Density-functional investigation of rhombohedral stacks of graphene: topological surface states, nonlinear dielectric response, and bulk limit

A DFT-based investigation of rhombohedral (ABC)-type graphene stacks in finite static electric fields is presented. Electronic band structures and field-induced charge densities are compared with related literature data as well as with own results on (AB) stacks. It is found, that the undoped AB-bilayer has a tiny Fermi line consisting of one electron pocket around the K-point and one hole pocket on the line K-$\Gamma$. In contrast to (AB) stacks, the breaking of translational symmetry by the surface of finite (ABC) stacks produces a gap in the bulk-like states for slabs up to a yet unknown critical thickness $N^{\rm semimet} \gg 10$, while ideal (ABC) bulk ($\beta$-graphite) is a semi-metal. Unlike in (AB) stacks, the ground state of (ABC) stacks is shown to be topologically non-trivial in the absence of external electric field. Consequently, surface states crossing the Fermi level must unavoidably exist in the case of (ABC)-type stacking, which is not the case in (AB)-type stacks. These surface states in conjunction with the mentioned gap in the bulk-like states have two major implications. First, electronic transport parallel to the slab is confined to a surface region up to the critical layer number $N^{\rm semimet}$. Related implications are expected for stacking domain walls and grain boundaries. Second, the electronic properties of (ABC) stacks are highly tunable by an external electric field. In particular, the dielectric response is found to be strongly nonlinear and can e.g. be used to discriminate slabs with different layer numbers. Thus, (ABC) stacks rather than (AB) stacks with more than two layers should be of potential interest for applications relying on the tunability by an electric field.Comment: 36 pages, 17 figure

Wigner Crystallization of a two dimensional electron gas in a magnetic field: single electrons versus electron pairs at the lattice sites

The ground state energy and the lowest excitations of a two dimensional Wigner crystal in a perpendicular magnetic field with one and two electrons per cell is investigated. In case of two electrons per lattice site, the interaction of the electrons {\em within} each cell is taken into account exactly (including exchange and correlation effects), and the interaction {\em between} the cells is in second order (dipole) van der Waals approximation. No further approximations are made, in particular Landau level mixing and {\em in}complete spin polarization are accounted for. Therefore, our calculation comprises a, roughly speaking, complementary description of the bubble phase (in the special case of one and two electrons per bubble), which was proposed by Koulakov, Fogler and Shklovskii on the basis of a Hartree Fock calculation. The phase diagram shows that in GaAs the paired phase is energetically more favorable than the single electron phase for, roughly speaking, filling factor $f$ larger than 0.3 and density parameter $r_s$ smaller than 19 effective Bohr radii (for a more precise statement see Fig.s 4 and 5). If we start within the paired phase and increase magnetic field or decrease density, the pairs first undergo some singlet- triplet transitions before they break.Comment: 11 pages, 7 figure

Behaviour of three charged particles on a plane under perpendicular magnetic field

We consider the problem of three identical charged particles on a plane under a perpendicular magnetic field and interacting through Coulomb repulsion. This problem is treated within Taut's framework, in the limit of vanishing center of mass vector $\vec{R} \to \vec{0}$, which corresponds to the strong magnetic field limit, occuring for example in the Fractional Quantum Hall Effect. Using the solutions of the biconfluent Heun equation, we compute the eigenstates and show that there is two sets of solutions. The first one corresponds to a system of three independent anyons which have their angular momenta fixed by the value of the magnetic field and specified by a dimensionless parameter $C \simeq \frac{l_B}{l_0}$, the ratio of $l_B$, the magnetic length, over $l_0$, the Bohr radius. This anyonic character, consistent with quantum mechanics of identical particles in two dimensions, is induced by competing physical forces. The second one corresponds to the case of the Landau problem when $C \to 0$. Finally we compare these states with the quantum Hall states and find that the Laughlin wave functions are special cases of our solutions under certains conditions.Comment: 15 pages, 3 figures, Accepeted in JP

Spectra of Harmonium in a magnetic field using an initial value representation of the semiclassical propagator

For two Coulombically interacting electrons in a quantum dot with harmonic confinement and a constant magnetic field, we show that time-dependent semiclassical calculations using the Herman-Kluk initial value representation of the propagator lead to eigenvalues of the same accuracy as WKB calculations with Langer correction. The latter are restricted to integrable systems, however, whereas the time-dependent initial value approach allows for applications to high-dimensional, possibly chaotic dynamics and is extendable to arbitrary shapes of the potential.Comment: 11 pages, 1 figur

RPA approach to rotational symmetry restoration in a three-level Lipkin model

We study an extended Lipkin-Meshkov-Glick model that permits a transition to a deformed phase with a broken continuous symmetry. Unlike simpler models, one sees a persistent zero-frequency Goldstone mode past the transition point into the deformed phase. We found that the RPA formula for the correlation energy provides a useful correction to the Hartree-Fock energy when the number of particle N satisfies N > 3, and becomes accurate for large N. We conclude that the RPA correlation energy formula offers a promising way to improve the Hartree-Fock energy in a systematic theory of nuclear binding energies.Comment: RevTex, 11 pages, 3 postscript figure

Unpaired and spin-singlet paired states of a two-dimensional electron gas in a perpendicular magnetic field

We present a variational study of both unpaired and spin-singlet paired states induced in a two-dimensional electron gas at low density by a perpendicular magnetic field. It is based on an improved circular-cell approximation which leads to a number of closed analytical results. The ground-state energy of the Wigner crystal containing a single electron per cell in the lowest Landau level is obtained as a function of the filling factor $\nu$: the results are in good agreement with those of earlier approaches and predict $\nu_{c} \approx 0.25$ for the upper filling factor at which the solid-liquid transition occurs. A novel localized state of spin-singlet electron pairs is examined and found to be a competitor of the unpaired state for filling factor $\nu >1$. The corresponding phase boundary is quantitatively displayed in the magnetic field-electron density plane.Comment: 19 pages, 8 figures, submitted to Phys. Rev. B on 7th April 2001. to appear in Phys. Rev.

Quantum-dot lithium in zero magnetic field: Electronic properties, thermodynamics, and a liquid-solid transition in the ground state

Energy spectra, electron densities, pair correlation functions and heat capacity of a quantum-dot lithium in zero external magnetic field (a system of three interacting two-dimensional electrons in a parabolic confinement potential) are studied using the exact diagonalization approach. A particular attention is given to a Fermi-liquid -- Wigner-solid transition in the ground state of the dot, induced by the intra-dot Coulomb interaction.Comment: 12 pages, incl. 16 figure

Roto-vibrational spectrum and Wigner crystallization in two-electron parabolic quantum dots

We provide a quantitative determination of the crystallization onset for two electrons in a parabolic two-dimensional confinement. This system is shown to be well described by a roto-vibrational model, Wigner crystallization occurring when the rotational motion gets decoupled from the vibrational one. The Wigner molecule thus formed is characterized by its moment of inertia and by the corresponding sequence of rotational excited states. The role of a vertical magnetic field is also considered. Additional support to the analysis is given by the Hartree-Fock phase diagram for the ground state and by the random-phase approximation for the moment of inertia and vibron excitations.Comment: 10 pages, 8 figures, replaced by the published versio

Exactly solvable model of three interacting particles in an external magnetic field

The quantum mechanical problem of three identical particles, moving in a plane and interacting pairwise via a spring potential, is solved exactly in the presence of a magnetic field. Calculations of the pair--correlation function, mean distance and the cluster area show a quantization of these parameters. Especially the pair-correlation function exhibits a certain number of maxima given by a quantum number. We obtain Jastrow pre-factors which lead to an exchange correlation hole of liquid type, even in the presence of the attractive interaction between the identical electrons.Comment: 8 pages 3 figure

The evaluation of liver fibrosis regression in chronic hepatitis C patients after the treatment with direct-acting antiviral agents – A review of the literature

The second-generation of direct-acting antiviral agents are the current treatment for chronic viral hepatitis C infection. To evaluate the regression of liver fibrosis in patients receiving this therapy, liver biopsy remains the most accurate method, but the invasiveness of this procedure is its major drawback. Different non-invasive tests have been used to study changes in the stage of liver fibrosis in patients with chronic viral hepatitis treated with the second-generation of direct-acting antiviral agents: liver stiffness measurements (with transient elastography or acoustic radiation force impulse elastography) or different scores that use serum markers to calculate a fibrosis score. We prepared a literature review of the available data regarding the long-term evolution of liver fibrosis after the treatment with direct-acting antiviral agents for chronic viral hepatitis C