Pregled bibliografske jedinice broj: 624634
Modeling the interface between crystalline silicon and silicon oxide polymorphs
Modeling the interface between crystalline silicon and silicon oxide polymorphs // Physica status solidi. A, Applications and materials science, 210 (2013), 4; 717-722 doi:10.1002/pssa.201200447 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 624634 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Modeling the interface between crystalline silicon and silicon oxide polymorphs
Autori
Kovačević, Goran ; Pivac, Branko
Izvornik
Physica status solidi. A, Applications and materials science (1862-6300) 210
(2013), 4;
717-722
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
interface; molecular dynamics; silicon; stability; structure
Sažetak
Structures of interfaces between crystalline silicon and several polymorphes of crystalline silicon oxides were modeled by molecular dynamics (MD) with Reax force field. MD and annealing procedures were conducted in order to create the most plausible interface structure. As the measure of stability of the interface, the energies of selected subsystems, were calculated. The interface between silicon and b-cristobalite turned out to have an amorphous arrangement of atoms. In all other interfaces, the crystalline order is preserved with defects in form of dislocated oxygen atoms. The interfaces between silicon and tridymite are the most ordered and energetically the most stable, but with the highest strain in the silicon layer.
Izvorni jezik
Engleski
Znanstvena područja
Fizika
POVEZANOST RADA
Projekti:
098-0982886-2866 - Temeljna svojstva nanostruktura i defekata u poluvodičima i dielektricima (Pivac, Branko, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
