相关论文: Empirical tight-binding method for large-supercell…
Correlated insulators and superconductivity have been observed in "magic-angle" twisted bilayer graphene, when the nearly flat bands close to neutrality are partially filled. While a momentum-space continuum model accurately describes these…
In the present paper an approach for investigation of the disordered two-component Ising systems with long range interaction has been suggested. Possible applications to metalic and magnetic alloys and lattice gas are considered. We have…
Many commonly used nearest neighbor tight binding models for cubic semiconductors often result in inaccurate band structures when transferred to hexagonal polytypes. The resulting bandgaps are systematically too small, and in some cases…
First-principles calculations using the plane-wave pseudopotential method within the generalized gradient approximation method were performed to study the pressure dependence of the structural, elastic, electronic and optical properties for…
Avalanche photodiodes fabricated from AlInAsSb grown as a digital alloy exhibit low excess noise. In this paper, we investigate the band structure-related mechanisms that influence impact ionization. Band-structures calculated using an…
The tight binding model is a minimal electronic structure model for molecular modelling and simulation. We show that the total energy in this model can be decomposed into site energies, that is, into contributions from each atomic site…
This work reports on the experimental investigation of the wide band gap compounds LiMgZ (Z = P, As, Sb), which are promising candidates for opto-electronics and anode materials for Lithium batteries. The compounds crystallize in the cubic…
A general-purpose Density Functional Tight Binding method, the GFN-xTB model is gaining increased popularity in accurate simulations that are out of scope for conventional ab initio formalisms. We show that in its original GFN1-xTB…
We study, within the tight-binding approximation, the electronic properties of a graphene bilayer in the presence of an external electric field applied perpendicular to the system -- \emph{biased bilayer}. The effect of the perpendicular…
The great possibilities for strain engineering in core/shell nanowires have been explored as an alternative route to tailor the properties of binary III-V semiconductors without changing their chemical composition. In particular, we…
Band bending is a central concept in solid-state physics that arises from local variations in charge distribution especially near semiconductor interfaces and surfaces. Its precision measurement is vital in a variety of contexts from the…
We describe a method for deriving effective low-energy theories of electronic interactions at graphene edges. Our method is applicable to general edges of honeycomb lattices (zigzag, chiral, and even disordered) as long as localized…
Halide perovskites are strongly influenced by large amplitude anharmonic lattice fluctuations at room temperature. We develop a tight binding model for dynamically disordered MAPbI$_3$ based on density functional theory (DFT) calculations…
Many present and future applications of superconductivity would benefit from electrostatic control of carrier density and tunneling rates, the hallmark of semiconductor devices. One particularly exciting application is the realization of…
Quantum simulation in its current state faces experimental overhead in terms of physical space and cooling. We propose boson sampling as an alternative compact synthetic platform performing at room temperature. Identifying the capability of…
The ab initio band structure of 2D graphene sheet is well reproduced by the third nearest neighbor tight binding model proposed by Reich et al [Phys. Rev. B 66, 035412]. For ribbon structures, the existing sets of tight binding parameters…
We study superconducting three-band systems within strong-coupling Eliashberg theory. In particular, we search for phase-frustrated superconducting systems with spontaneous time-reversal symmetry breaking (TRSB) states. The emergence of…
We develop an empirical potential for silicon which represents a considerable improvement over existing models in describing local bonding for bulk defects and disordered phases. The model consists of two- and three-body interactions with…
The influence of substitutional disorder on the transport properties of heavy-fermion systems is investigated. We extend the dynamical mean-field theory treatment of the periodic Anderson model (PAM) to a coherent-potential approximation…
Generalized electrostatic quantum swap gate implemented in the chain of 2 double coupled quantum dots using single electron in semiconductor is presented in tight-binding simplistic model specifying both analytic and numerical results. The…