Ultra-thin and thin CrSi films on Si(111): I. Formation and crystal structureShow others and affiliations
2025 (English)In: Journal of Materials Chemistry C, ISSN 2050-7526, E-ISSN 2050-7534, Vol. 13, no 6, p. 2987-2999Article in journal (Refereed) Published
Abstract [en]
In this paper we present the results of ab initio calculations on the ground state of the CrSi bulk and experimental studies on the structure and morphology of thin and ultrathin CrSi films grown on Si(111) substrates. Even though CrSi is expected to crystallize in the simple cubic B20 structure (space group #198, P213), we show that the ground state of CrSi is monoclinic (space group #4, P21). According to the calculated band structures monoclinic CrSi is a gapless semiconductor with holes as the main charge carriers and antiferromagnetic ordering, while cubic CrSi is a half-metal with ferromagnetic ordering. Ultra-thin CrSi films (3.19–4.31 nm) grown by the solid-phase epitaxy are indeed characterized by the monoclinic structure. For thin CrSi films (32–83 nm) fabricated by the molecular beam epitaxy, the coexistence of grains in the monoclinic and cubic phases is revealed in the films whereas the volume of these grains depends on the silicon to chromium flow ratio during the growth.
Place, publisher, year, edition, pages
Royal Society of Chemistry, 2025. Vol. 13, no 6, p. 2987-2999
National Category
Condensed Matter Physics
Research subject
Applied Physics
Identifiers
URN: urn:nbn:se:ltu:diva-111187DOI: 10.1039/d4tc03122aISI: 001381491000001Scopus ID: 2-s2.0-85212529050OAI: oai:DiVA.org:ltu-111187DiVA, id: diva2:1924068
Funder
Swedish Research Council, 2022-06725
Note
Validerad;2025;Nivå 2;2025-03-18 (u4);
Funder: Russian Science Foundation (22-12-00036, 19-72-30023);
2025-01-022025-01-022025-10-21Bibliographically approved