Related papers: Theory for constructing effective models for elect…
Artificial molecular states of double quantum dots defined in bilayer graphene are studied with the atomistic tight-binding and its low-energy continuum approximation. We indicate that the extended electron wave functions have opposite…
The effective Hamiltonian for electrons in bilayer graphene with applied magnetic fields is solved through second-order supersymmetric quantum mechanics. This method transforms the corresponding eigenvalue problem into two intertwined one…
We characterise the dynamics of electrons in twisted bilayer graphene by analysing the time-evolution of electron waves in the atomic lattice. We perform simulations based on a kernel polynomial technique using Chebyshev polynomial; this…
We derive a widely-applicable first principles approach for determining two-body, static effective interactions for low-energy Hamiltonians with quantitative accuracy. The algebraic construction rigorously conserves all instantaneous…
Bilayer graphene is a promising material for radio-frequency transistors because its energy gap might result in a better current saturation than the monolayer graphene. Because the great deal of interest in this technology, especially for…
Continuum atomic relaxation models for twisted bilayer graphene involve minimization of the sum of intralayer elastic energy and interlayer adhesion energy. The elastic energy favors a rigid twist i.e. no distortion in the twisted honeycomb…
We study quantum dots defined by external potentials within finite flakes of bilayer graphene using the tight-binding approach. We find that in the limit of large flakes containing zigzag edges the dot-localized energy levels appear within…
We show that the electronic structure of the low-energy bands in the small angle-twisted bilayer graphene consists of a series of semi-metallic and topological phases. In particular we are able to prove, using an approximate low-energy…
An atomistic model based on the spin-restricted extended Huckel theory (EHT) is presented for simulating electronic structure and I-V characteristics of graphene devices. The model is applied to zigzag and armchair graphene nano-ribbons…
Bloch's theorem is the centerpiece of topological band theory, which itself has defined an era of quantum materials research. However, Bloch's theorem is broken by a perpendicular magnetic field, making it difficult to study topological…
Single-particle continuum models such as the popular Bistritzer-MacDonald model have become powerful tools for predicting electronic phenomena of incommensurate 2D materials and the development of many-body models aimed to model…
The recent discovery of fractional quantum Hall states in graphene raises the question of whether the physics of graphene and its bilayer offers any advantages over GaAs-based materials in exploring strongly-correlated states of…
We model quasi-two-dimensional two-electron Quantum Dots in a parabolic confinement potential with rovibrational and purely vibrational effective Hamiltonian operators. These are optimized by non-linear least-square fits to the exact energy…
We build symmetry adapted maximally localized Wannier states, and construct the low energy tight binding model for the four narrow bands of the twisted bilayer graphene. We do so when the twist angle is commensurate, near the `magic' value,…
A quantum mechanical model of two interacting electrons in graphene is considered. We concentrate on the case of zero total momentum of the pair. We show that the dynamics of the system is very unusual. Both stationary and time-dependent…
We present a simple derivation of a continuum Hamiltonian for bilayer graphene with an arbitrary smooth lattice deformation -- technically in a fashion parametrized by displacement fields with small gradients. We show that this subsumes the…
Staking layered materials revealed to be a very powerful method to tailor their electronic properties. It has indeed been theoretically and experimentally shown that twisted bilayers of graphene (tBLG) with a rotation angle $\theta$,…
Generative models offer a direct way of modeling complex data. Energy-based models attempt to encode the statistical correlations observed in the data at the level of the Boltzmann weight associated with an energy function in the form of a…
We present an analytical description of pi electrons of a finite size bilayer graphene within a framework of the tight-binding model. The bilayered structures considered here are characterized by a rectangular geometry and have a finite…
We discuss how to construct a tight binding model Hamiltonan for the simplest possible solid, composed of hydrogen-like atoms. A single orbital per atom is not sufficient because the on-site electron-electron repulsion mixes in higher…