Publications associées à Vol orbital

Koopmans-Compliant Functionals and Potentials and Their Application to the GW100 Test Set

Nicola Marzari, Nicola Colonna, Ngoc Linh Nguyen, Andrea Ferretti

Koopmans-compliant (KC) functionals have been shown to provide accurate spectral properties through a generalized condition of piecewise linearity of the total energy as a function of the fractional addition/removal of an electron to/from any orbital. We a ...

AMER CHEMICAL SOC2019

Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4

Henrik Moodysson Rønnow, Marco Grioni, Johan Juul Chang, Simon Karl Moser, Gianmarco Gatti, Claudia Giuseppina Fatuzzo

A paradigmatic case of multi-band Mott physics including spin-orbit and Hund's coupling is realized in Ca2RuO4. Progress in understanding the nature of this Mott insulating phase has been impeded by the lack of knowledge about the low-energy electronic str ...

Nature Research2017

Spin and orbital disordering by hole doping in Pr1-xCaxVO3

Philip Pattison

High-resolution powder x-ray diffraction and single-crystal neutron diffraction were used to investigate the crystal structure and magnetic ordering of the compound Pr1-xCax VO3 (0

Amer Physical Soc2016

Orbital textures and charge density waves in transition metal dichalcogenides

Helmuth Berger

Low-dimensional electron systems, as realized in layered materials, often tend to spontaneously break the symmetry of the underlying nuclear lattice by forming so-called density waves(1); a state of matter that at present attracts enormous attention(2-6). ...

Nature Publishing Group2015

Unveiling the Nature of Three-Dimensional Orbital Ordering Transitions: The Case of e(g) and t(2g) Models on the Cubic Lattice

Sandro Wenzel

We perform large scale finite-temperature Monte Carlo simulations of the classical e(g) and t(2g) orbital models on the simple cubic lattice in three dimensions. The e(g) model displays a continuous phase transition to an orbitally ordered phase. While the ...

2011

Orbital Currents in Extended Hubbard Models of High-T-c Cuprate Superconductors

Frédéric Mila, Cédric Weber, Thierry Giamarchi

Motivated by the recent report of broken time-reversal symmetry and zero momentum magnetic scattering in underdoped cuprates, we investigate under which circumstances orbital currents circulating inside a unit cell might be stabilized in extended Hubbard m ...

2009

Interplay of electronic correlations and lattice instabilities in BaVS3

Helmuth Berger

The quasi-one-dimensional metallic system BaVS3 with a metal-insulator transition at T-MI=70 K shows large changes in the optical phonon spectrum, a central peak, and an electronic Raman scattering continuum that evolve in a three-step process. Motivated b ...

2009

Existence and orbital stability of standing waves for some nonlinear Schrodinger equations, perturbation of a model case

François Samer Genoud

The following nonlinear Schrodinger equation is studied ...

2009

Lectures on the Orbital Stability of Standing Waves and Application to the Nonlinear Schrodinger Equation

Charles Stuart

In the first part of these notes, we deal with first order Hamiltonian systems in the form Ju'(t) = del H(u(t)) where the phase space X may be in infinite dimensional so as to accommodate some partial differential equations. The Hamiltonian H is an element ...

Birkhäuser-Verlag, Springer2008

Théorie de bifurcation et de stabilité pour une équation de Schrödinger avec une non-linéarité compacte

François Samer Genoud

The nonlinear Schrödinger equation i∂tw + Δw +V(x)|w|p-1w = 0 w = w(t,x) : Ι × RN → C, N ≥ 2, (1) is studied, with p > 1, V : RN \ {0} → R and Ι ⊂ R an interval. The coefficient V is subject to various hypotheses. In particular, it is always assumed ...

EPFL2008