Electronic structure of vertically coupled double quantum dots: Optimization of basis functions

Autor:	L. O. Massa, Pedro Henrique de Oliveira Neto, Fábio Vieira Moura, Ricardo Gargano, Fanyao Qu
Rok vydání:	2010
Předmět:	Character (mathematics) Chemistry Quantum dot Linear combination of atomic orbitals Quantum mechanics Convergence (routing) General Physics and Astronomy Molecule Basis function Electronic structure Physical and Theoretical Chemistry Double quantum
Zdroj:	Chemical Physics Letters. 494:228-231
ISSN:	0009-2614
Popis:	We have performed a fully converged calculation for electronic structure of vertically coupled double quantum dots (DQDs) using linear combination of atomic orbitals. We find that to reach high accuracy of results and get a quick convergence, a special attention in choice of basis functions has to be paid, specially for small quantum dots. We also find the character of electronic states of DQDs evolves from atomic-like to molecular characteristic (bounding and anti-bounding) states as interdot distance decreases. We show that the electronic structure of DQDs can be engineered through properly DQD design. It is in sharp contrast to the natural molecules in which the geometric positions of composed atoms are fixed.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::23caaee4756597ba7482ce3e4cf37b77 https://doi.org/10.1016/j.cplett.2010.05.092 Zobrazit plný text záznamu Full Text from ScienceDirect