相关论文: Doublon production in correlated materials by mult…
Interactions between particles normally induce the decay of the particles Bloch oscillations (BOs) in a periodic lattice. In the limit of strong on-site interactions, spin-$1/2$ fermions may form doublon bound states and undergo BOs in the…
A numerical model with broad applications to complex (dusty) plasmas is presented. The self-consistent N-body code allows simulation of the coagulation of fractal aggregates, including the charge-dipole interaction of the clusters due to…
We study the time-dependent neutralization of a slow highly charged ion that penetrates a hexagonal hollow-centred graphene nanoflake. To compute the ultrafast charge transfer dynamics, we apply an effective Hubbard nanocluster model and…
Electron irradiation is essential for materials characterization and modification, though the fundamental interactions between incident electrons and host materials remain under investigation. Here, we employ first-principles simulations to…
Finite graphene nanoribbon (GNR) heterostructures host intriguing topological in-gap states (Rizzo, D. J. et al.~\textit{Nature} \textbf{2018}, \textit{560}, 204]). These states may be localized either at the bulk edges, or at the ends of…
We apply a circularly and linearly polarized terahertz field on a monolayer of graphene taking into account spin-orbit interactions of the intrinsic and Rashba type. It turns out that the field can not only be used to induce a gap in the…
Molecular dynamics (MD) simulations were performed to study the formation process of nanopores in a suspended graphene sheet irradiated by using energetic ions though a mask. By controlling the ion parameters including mass, energy and…
To clarify a key role of orbital degrees of freedom in the response of the many-body electron state of correlated electrons to an external field, we investigate the real-time dynamics in an $e_{\rm g}$-orbital Hubbard model under applied…
In this paper, we have studied electron correlation and Gaunt interaction effects in ionization potentials (IPs) and hyperfine constants A of 2p$^2P_{1/2}$ and 2p$^2P_{3/2}$ states along with the fine structure splitting (FSS) between them…
Kane and Mele predicted that in presence of spin-orbit interaction graphene realizes the quantum spin Hall state. However, exceptionally weak intrinsic spin-orbit splitting in graphene ($\approx 10^{-5}$ eV) inhibits experimental…
Correlation effects in in the fluctuation of the number of particles in the process of energy branching by sequential impact ionizations are studied using an exactly soluble model of random parking on a line. The Fano factor F calculated in…
It was shown in PHYSICAL REVIEW B 92, 085409 (2015) that the dynamics of a pair of electrons in graphene can be mapped onto that of a single particle with negative effective mass, leading to bound states of positive energy despite the…
Trapped atomic ion qubits or effective spins are a powerful quantum platform for quantum computation and simulation, featuring densely connected and efficiently programmable interactions between the spins. While native interactions between…
We present an efficient implemention of a non-equilibrium Green function (NEGF) method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of…
The search of new means of generating and controlling topological states of matter is at the front of many joint efforts, including bandgap engineering by doping and light-induced topological states. Most of our understading, however, is…
We propose a description of nonequilibrium systems via a simple protocol that combines exchange-correlation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed to avoid double…
We study the influence of different edge types on the electronic density of states of graphene nanostructures. To this end we develop an exact expansion for the single particle Green's function of ballistic graphene structures in terms of…
The ultrafast hole dynamics triggered by the photoexcitation of molecular targets is a highly correlated process even for those systems, like organic molecules, having a weakly correlated ground state. We here provide a unifying framework…
We model boron and nitrogen doped/codoped monolayer graphene to study its stability, interaction energy, electronic and thermal properties using density functional theory. It is found that a doped graphene sheet with non-bonded B or N atoms…
We investigate the electromechanical response of doubly clamped graphene nanoribbons to a transverse gate voltage. An analytical model is developed to predict the field-induced deformation of graphene nanoribbons as a function of field…