Počet záznamů: 1
Ab initio density functional theory study on the atomic and electronic structure of GaP/Si(001) heterointerfaces
- 1.
SYSNO ASEP 0466113 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Ab initio density functional theory study on the atomic and electronic structure of GaP/Si(001) heterointerfaces Tvůrce(i) Romanyuk, Olexandr (FZU-D) RID, ORCID
Supplie, O. (DE)
Susi, T. (AT)
May, M.M. (GB)
Hannappel, T. (DE)Číslo článku 155309 Zdroj.dok. Physical Review B. - : American Physical Society - ISSN 2469-9950
Roč. 94, č. 15 (2016), s. 1-9Poč.str. 9 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova interface structure ; GaP/Si heterointerface ; interface electronic states ; core-level shifts Vědní obor RIV BM - Fyzika pevných látek a magnetismus CEP GF16-34856L GA ČR - Grantová agentura ČR Institucionální podpora FZU-D - RVO:68378271 UT WOS 000386097800001 EID SCOPUS 84992145951 DOI 10.1103/PhysRevB.94.155309 Anotace The atomic and electronic band structures of GaP/Si(001) heterointerfaces were investigated by ab initio density functional theory calculations. Relative total energies of abrupt interfaces and mixed interfaces with Si substitutional sites within a few GaP layers were derived. The electronic band structure of the epitaxial GaP/Si(001) heterostructure terminated by the (2×2) surface reconstruction consists of surface and interface electronic states in the common band gap of two semiconductors. The dispersion of the states is anisotropic and differs for the abrupt Si-Ga, Si-P, and mixed interfaces. Ga 2p, P 2p, and Si 2p core-level binding-energy shifts were computed for the abrupt and the lowest-energy heterointerface structures. The distinct features in the heterointerface electronic structure and in the core-level shifts open new perspectives in the experimental characterization of buried polar-on-nonpolar semiconductor heterointerfaces. Pracoviště Fyzikální ústav Kontakt Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Rok sběru 2017
Počet záznamů: 1