相关论文: Semiconductor effective charges from tight-binding…

The transverse Nernst--Ettingshausen effect and thermopower of hot charge carriers in nondegenerate impure semiconductors placed at high electric and nonquantized magnetic fields in the nondiffusion approximation is studied. Arbitrary…

We present a tight-binding parametrization for penta-graphene that correctly describes its electronic band structure and linear optical response. The set of parameters is validated by comparing to ab-initio density functional theory…

An ab-initio pseudopotential calculation using density functional theory within the local density approximation has been performed to investigate the electronic properties of TlSe which is of chain-like crystal geometry. The energy bands…

We report on an effective Hubbard Hamiltonian approach for the study of electronic correlations in C$_{20}$ isomers, cage, bowl and ring, with quantum Monte Carlo and exact diagonalization methods. The tight-binding hopping parameter, $t$,…

Electronic and thermoelectric transport in zigzag monolayer WSe$_2$ nanoribbons are studied under monochromatic irradiation. The electronic structure is described within a six-orbital tight-binding framework constructed from the relevant…

Fractional superstrings in the tensor-product formulation experience ``internal projections'' which reduce their effective central charges. Simple expressions for the characters of the resulting effective worldsheet theory are found. All…

We study generic properties of string theory effective actions obtained by classically integrating out massive excitations from string field theories based on cyclic homotopy algebras of $A_\infty$ or $L_\infty$ type. We construct…

We theoretically consider the spin Seebeck effect, the charge Seebeck coefficient, and the thermoelectric figure of merit in superconducting hybrid structures including either magnetic textures or intrinsic spin-orbit coupling. We…

Calculating intermolecular charge transfer integrals in organic semiconductors requires substantial computer resource for each individual calculation. We might alternatively construct a machine learning model for transfer integrals, which…

Using a simple tight-binding model, we compare the limitations of the tunnelling predictions coming out of the complex band structure of a semiconductor with the output of thin film calculations done for the same semiconducting spacer but…

Experimental results on event shapes obtained within (or related to) the method of Effective Charges are discussed in view of measurements of the strong coupling, alpha_s, the beta-function and non-perturbative contributions to event…

A simple theoretical method for deducing the effective bond-orbital model (EBOM) of III-nitride wurtzite (WZ) semiconductors is presented. In this model, the interaction parameters for zinc-blende (ZB) structures are used as an initial…

We present studies of an effective model which is a simple generalization of the standard model of a local pair superconductor with on-site pairing (i.e., the model of hard core bosons on a lattice) to the case of finite pair binding…

The general theory for quantum simulation of cubic semiconductor n-MOSFETs is presented within the effective mass equation approach. The full three-dimensional transport problem is described in terms of coupled transverse subband modes…

It is shown that, an entire class of off-diagonally disordered linear lattices composed of two basic building blocks and described within a tight binding model can be tailored to generate absolutely continuous energy bands. It can be…

An application of the tight binding approximation is presented for the description of electronic structure and interatomic force in magnetic iron, both pure and containing hydrogen impurities. We assess the simple canonical d-band…

In this thesis a new model for calculating the total energy of atomic and solid systems is presented. The model is used to study the properties of the Si(100) surface and dislocation dynamics in the diamond structure. For the Si(100)…

We carry out both the tight-binding model and the $ab\ initio$ to study the layered silicene, the spin, valley, sublattice degrees of freedom are taken into consider and the effects of electric field, magnetic field, and even the light in…

Semiconductor heterostructures with prescribed energy dependence of the transmittance can be designed by combining: {\em a)} Pad\'e approximant reconstruction of the S-matrix; {\em b)} inverse scattering theory for Schro\"dinger's equation;…

In this paper, we use density functional theory to calculate the electronic structure and properties of 46 metallic and semi-metallic elements. The binding energy and bond charge model (BBC) model is combined with the tight binding and…