Related papers: Electronic Ground State of Higher Acenes
We propose a model of spin-polarized-current state for electrons in bilayer graphene. The model resolves the puzzles as revealed by experiments that (a) the energy gap $E_{\rm gap}$ of the insulating ground state at the charge neutrality…
The electronic and energetic properties of the elementary building block, i.e. a five-membered atom ring (pentagon), of the Ge(110) surface was studied by scanning tunneling microscopy and spectroscopy at room temperature. The Ge(110)…
We have performed a comprehensive study of the singlet ground state of two electrons on the surface of a sphere of radius $R$. We have used electronic structure models ranging from restricted and unrestricted Hartree-Fock theory to…
Employing a rigorous theoretical method for the construction of exact many-electron ground states we prove that interactions can be employed to tune a bare dispersive band structure such that it develops a flat band. Thereby we show that…
We perform a systematic study of the antiferromagnetic Heisenberg model on the Husimi lattice using numerical tensor-network methods based on Projected Entangled Simplex States (PESS). The nature of the ground state varies strongly with the…
Topology of the space of periodic ground states in the antiferromagnetic Ising and Potts (3-state) models is analysed in selected spatial structures. The states are treated as graph nodes, connected by one-spin-flip transitions. The spatial…
An interesting property of zigzag graphene nanoribbons is the presence of edge states which are extended along its borders but localized in the transverse direction. We show that because of this property, electron transport through an…
We describe the gated bilayer graphene system when it is subjected to intense terahertz frequency electromagnetic radiation. We examine the electron band structure and density of states via exact diagonalization methods within Floquet…
Self-consistent electronic structure calculations, for devices recently fabricated and studied by Zhitenev et al. for capacitance spectroscopy in the quantum Hall regime, demonstrate that reproducible resonances in the coupling between…
On flat bands of the magic-angle twisted bilayer graphene, exotic correlation physics unfolds. Phonons, through mediating an effective electron-electron interaction, can play a crucial role in selecting various electronic phases. In this…
We use first-principles density functional theory (DFT) within the local density approx- imation (LDA) to ascertain the ground state structure of real and theoretical compounds with the formula ABS3 (A = K, Rb, Cs, Ca, Sr, Ba, Tl, Sn, Pb,…
The effect of strain in graphene is usually modeled by a pseudo-magnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance,…
Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We…
To understand the collinear-magnetism-driven ferroelectricity in multiferroic Ca3CoMnO6 compound, we have established an elastic diatomic Ising spin-chain model with axial-next-nearest-neighbor interaction to describe its magnetoelectric…
Using density functional theory calculations we investigate the electronic structure of graphene doped by deposition of foreign atoms. We demonstrate that, as the charge transfer to the graphene layer increases, the band structure of the…
We construct a set of exact ground states with a localized ferromagnetic domain wall and with an extended spiral structure in a deformed flat-band Hubbard model in arbitrary dimensions. We show the uniqueness of the ground state for the…
Trilayer graphene allows systematic control of its electronic structure through stacking sequence and twist geometry, providing a versatile platform for correlated states. Here we report magnetotransport in alternating twisted trilayer…
We calculate the angular dependence of the x-ray linear and circular dichroism at the $L_{2,3}$ edges of $\alpha$-Fe(II) Phthalocyanine (FePc) thin films using a ligand field model with full configuration interaction. We find the best…
We study the ground state properties of an ABA-stacked trilayer graphene. The low energy band structure can be described by a combination of both a linear and a quadratic particle-hole symmetric dispersions, reminiscent of monolayer- and…
We have found the exact ground state for two electronic models on a linear chain. The first model describes half-filling electron system in the ferromagnet--antiferromagnet transition point. In the singlet ground state the spin correlators…