Related papers: Frustrated magnetic interactions in a cyclacene cr…
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…
In this paper we explore the phase diagram and excitations of a distorted triangular lattice antiferromagnet. The unique two-dimensional distortion considered here is very different from the 'isosceles'-type distortion that has been…
A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical…
Two-dimensional atomic crystals can radically change their properties in response to external influences such as substrate orientation or strain, resulting in essentially new materials in terms of the electronic structure. A striking…
When the Coulomb repulsion between electrons dominates over their kinetic energy, electrons in two dimensional systems were predicted to spontaneously break continuous translation symmetry and form a quantum crystal. Efforts to observe this…
The formation of self-consistent crystalline structure is a well-known phenomenon in complex plasmas. In most experiments the pressure and rf power are the main controlling parameters in determining the phase of the system. We have studied…
Magnetism is one of the largest, most fundamental, and technologically most relevant fields of condensed-matter physics. Traditionally, two basic magnetic phases have been considered -- ferromagnetism and antiferromagnetism. The breaking of…
Motivated by the potential for cuprate-like superconductivity in monolayer rare-earth nickelate superlattices, we study the effects of crystal field splitting, lattice distortions and strain on the charge, magnetic, and orbital order in…
We combine two aspects of magnetic frustration, multiferroicity and emergent quasi-particles in spin liquids, by studying magneto-electric monopoles. Spin ice offers to couple these emergent topological defects to external fields, and to…
The kinetics of aggregation in a monolayer of magnetic particles are studied using stochastic dynamics computer simulations. At low densities (<8% coverage) the equilibrium structure is made up of chains and rings; the primary mechanisms by…
Density functional theory has been applied to investigate the electronic structure and lattice stability of molybdenene monolayer in both its hexagonal and triclinic phases, within ultrasoft pseudopotential approach. In agreement with…
In this paper we address many of the fundamental open questions regarding the glassy behavior of the magnetic/electronic phase segregated state in rare earth perovskites. In particular, magnetic relaxation experiments support that the…
We present extensive large-scale dynamical simulations of phase-separated states in the double exchange model. These inhomogeneous electronic states that play a crucial role in the colossal magnetoresistance phenomenon are composed of…
Interactions between stacked two-dimensional (2D) atomic crystals can radically change their properties, leading to essentially new materials in terms of the electronic structure. Here we show that monolayers placed on an atomically flat…
We consider a model with competing double-exchange (ferromagnetic) and super-exchange (anti-ferromagnetic) interactions in the regime where phase separation takes place. The presence of a long range Coulomb interaction frustrates a…
The formation of a skyrmion crystal and its phase transition are studied taking into account the Dzyaloshinskii-Moriya (DM) interaction at the interface between a ferroelectric layer and a magnetic layer in a superlattice. The frustration…
Motivated by the controversy between quantum chemists and solid-state physicists, and by recent experimental results, spin-polarized density-functional (DFT) calculations are used to probe electron correlation in the Si(100) reconstructed…
Understanding the atomic structure and energetic stability of ferrite-cementite interfaces is essential for optimizing the mechanical performance of steels, especially under extreme conditions such as those encountered in nuclear fusion…
The dynamics of phase field crystal (PFC) modeling is derived from dynamical density functional theory (DDFT), for both single-component and binary systems. The derivation is based on a truncation up to the three-point direct correlation…
Double perovskites of the form A_2BB'O_6 usually involve a transition metal ion, B, with a large magnetic moment, and a non magnetic ion B'. While many double perovskites are ferromagnetic, studies on the underlying model reveal the…