相关论文: Heitler-London model for acceptor-acceptor interac…

We calculate the exchange coupling J between electrons in a double-well potential in a two-dimensional semiconductor environment within the Heitler-London (HL) approach. Two functional forms are considered for the double-well potential. We…

Electronic and nuclear spins of shallow donors in Silicon are attractive candidates for qubits in quantum computer proposals. Shallow donor exchange gates are frequently invoked to preform two-qubit operations in such proposals. We study…

We consider the interaction between acceptor pairs in doped semiconductors in the limit of large inter-acceptor separation relevant for low doping densities. Modeling individual acceptors via the spherical model of Baldereschi and Lipari,…

Acceptor dopant atoms in silicon have recently been identified as compelling candidates for spin-based quantum technologies. Interest in acceptor qubits ultimately derives from the properties of acceptor bound holes, where spin-orbit…

The energy spectrum of spin-orbit coupled states of individual sub-surface boron acceptor dopants in silicon have been investigated using scanning tunneling spectroscopy (STS) at cryogenic temperatures. The spatially resolved tunnel spectra…

We have studied the extended Hubbard model with pair hopping in the atomic limit for arbitrary electron density and chemical potential. The Hamiltonian considered consists of (i) the effective on-site interaction U and (ii) the intersite…

The exchange coupling of the spins of two electrons in double well potentials in a semiconductor background is calculated within the Heitler-London (HL) approximation. Atomic and quantum dot types of confining potentials are considered, and…

Calculations for two electrons in an elliptic quantum dot, using symmetry breaking at the unrestricted Hartree-Fock level and subsequent restoration of the broken parity via projection techniques, show that the electrons can localize and…

The thermodynamics of several reactions involving atomic and molecular hydrogen with group-III acceptors is investigated. The results provide a first-principles-level account of thermally- and carrier-activated processes involving these…

The present manuscript revisits one of the earliest approaches to treating molecular systems within the Schr\"odinger formalism of quantum mechanics: the Heitler-London (HL) model. Originally proposed in 1927 and based on a linear…

Donors in silicon, conceptually described as hydrogen atom analogues in a semiconductor environment, have become a key ingredient of many "More-than-Moore" proposals such as quantum information processing [1-5] and single-dopant electronics…

Exchange interactions among defects in semiconductors are commonly treated within effective-mass theory using a scaled hydrogenic wave-function. However such a wave-function is only applicable to shallow impurities; here we present a simple…

Using quantum Monte Carlo (QMC) simulations combined with Maximum Entropy analytic continuation as well as analytical methods, we examine the one- and two-particle dynamical properties of the Hubbard model on two coupled chains at small…

An effective Hamiltonian is considered for hydrogen bonding between two molecules due to the quantum mechanical interaction between the orbitals of the H-atom and the donor and acceptor atoms in the molecules. The Hamiltonian acts on two…

We investigate an extended version of the periodic Anderson model (the so-called periodic Anderson-Hubbard model) with the aim to understand the role of interaction between conduction electrons in the formation of the heavy-fermion and…

Bound electron-hole pairs in semiconductors known as excitons are the subject of intense research due to their potential for optoelectronic devices and applications, especially in the realm of two-dimensional materials. While the properties…

The two-level model for a double quantum dot coupled to two leads, which is ubiquitously used to describe charge oscillations, transmission-phase lapses and correlation-induced resonances, is considered in its general form. The model…

The method developed in [L. P. Gor'kov and L. P. Pitaevskii, Sov. Phys. Dokl. 8, 788 (1964); C. Herring and M. Flicker, Phys. Rev. 134, A362 (1964)] to calculate the asymptotic form of exchange interactions between hydrogen atoms in the…

In this work, the exchange energy J for a system of two laterally-coupled quantum dots, each one with an electron, is calculated analytically and in a detailed form, considering them as hydrogen-like atoms, under the Heitler-London…

We propose a device for studying the Fermi-Hubbard model with long-range Coulomb interactions using an array of quantum dots defined in a semiconductor two-dimensional electron gas system. Bands with energies above the lowest energy band…