Related papers: Electronic Ground State of Higher Acenes
We study numerically the ground state magnetization for clusters of interacting electrons in two dimensions in the regime where the single particle wavefunctions are localized by disorder. It is found that the Coulomb interaction leads to a…
By the means of screened exchange density functional theory, we find that the phosphorene nanoribbons with bare zigzag edges that undergo Peierls distortion is a antiferromagnetic semiconductor in which the polarized states are mainly…
The electronic structure, bonding and magnetism in graphene containing vacancies are studied using density-functional methods. The single-vacancy graphene ground state is spin polarized and structurally flat. The unpolarized state is non…
The electron-phonon matrix element for edge states of carbon nanotubes and graphene at zigzag edges is calculated for obtaining renormalized energy dispersion of the edge states. Self-energy correction by electron-phonon interaction…
We study the electronic properties of GaAs nanowires composed of both the zincblende and wurtzite modifications using a ten-band k.p model. In the wurtzite phase, two energetically close conduction bands are of importance for the…
The electronic structure of the rare earth nitrides is studied systematically using the {\it ab-initio} self-interaction corrected local-spin-density approximation (SIC-LSD). This approach allows both a localised description of the rare…
We theoretically analyze the possibility to confine electrons in single-layer graphene with the help of metallic gates, via the evaluation of the density of states of such a gate-defined quantum dot in the presence of a ring-shaped metallic…
We study the ground state phase diagram of the extended Hubbard model in a half-filled 5/7 skewed ladder, which is topologically equivalent to a \{112\} grain boundary in graphene and related systems. Using the mean-field method, we…
The electronic structure of nanographene in pristine and fluorinated activated carbon fibers (ACFs) have been investigated with near-edge x-ray absorption fine structure (NEXAFS) and compared with magnetic properties we reported on…
The ground state structure of few-electron concentric double quantum rings is investigated within the local spin density approximation. Signatures of inter-ring coupling in the addition energy spectrum are identified and discussed. We show…
Zigzag graphene nanoribbons patterned on graphane are studied using spin-polarized ab initio calculations. We found that the electronic and magnetic properties of the graphene/graphane superlattice strongly depends on the degree of…
We find that spin-polarized ground states emerge in nanofacets which are self-organized on SiC (0001) surfaces. Our large-scale density-functional calculations reveal that the nanofacet formed by bunching of single bilayer steps generates…
Exact ground states of interacting electrons on the diamond Hubbard chain in a magnetic field are constructed which exhibit a wide range of properties such as flat-band ferromagnetism and correlation induced metallic, half-metallic or…
Using many-body configuration interaction techniques we show that Wigner crystallization occurs at the zigzag edges of graphene at surprisingly high electronic densities up to $0.8$ $\mbox{nm}^{-1}$. In contrast with one-dimensional…
Using first-principles electronic structure calculations based on density functional theory (DFT), we investigate the structural, electronic and magnetic properties of the layered ternary manganese tellurides: AMnTe2 (A = K, Rb, and Cs).…
We present a theory of graphene quantum rings designed to produce degenerate shells of single particle states close to the Fermi level. We show that populating these shells with carriers using a gate leads to correlated ground states with…
The ground state of bilayer graphene is investigated by the density functional calculations with local spin density approximation. We find a ground state with layer antiferromagnetic ordering, which has been suggested by former studies…
We consider the ground state of a mixture of two pseudospin-$\1/2$ Bose gases with interspecies spin exchange in a trapping potential. In the mean field approach, the ground state can be described in terms of four wave functions governed by…
We study the electronic transport of armchair and zigzag gated phosphorene junctions. We find confined states for both direction-dependent phosphorene junctions. In the case of armchair junctions confined states are reflected in the…
We study theoretically many-body properties of magic-angle twisted bilayer graphene for different doping levels. Our investigation is focused on the emergence, stability, and manifestations of nematicity of the ordered low-temperature…