HÜGER, E., Martin ZELENÝ, Tomáš KÁŇA, K. OSUCH and Mojmír ŠOB. A peculiar bonding of sulphur at the Nb(001) surface. Europhysics letters. Paříž: European Physical Society, 2008, vol. 83, July 2008, p. 26001-26006. ISSN 0295-5075.
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Basic information
Original name A peculiar bonding of sulphur at the Nb(001) surface
Name in Czech Zvláštní vazba síry na povrchu Nb(001
Authors HÜGER, E. (276 Germany), Martin ZELENÝ (203 Czech Republic), Tomáš KÁŇA (203 Czech Republic), K. OSUCH (616 Poland) and Mojmír ŠOB (203 Czech Republic, guarantor, belonging to the institution).
Edition Europhysics letters, Paříž, European Physical Society, 2008, 0295-5075.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10302 Condensed matter physics
Country of publisher France
Confidentiality degree is not subject to a state or trade secret
Impact factor Impact factor: 2.203
RIV identification code RIV/00216224:14310/08:00024421
Organization unit Faculty of Science
UT WoS 000259021200013
Keywords in English electronic structure; sulphur; bonding at surfaces
Tags bonding at surfaces, electronic structure, sulphur
Tags International impact, Reviewed
Changed by Changed by: prof. RNDr. Mojmír Šob, DrSc., učo 3971. Changed: 30/5/2012 18:19.
Abstract
The morphological, crystallographical and electronic structure of a well-ordered pseudomorphic sulphur monolayer (S ML) bonded at the (001) surface of a niobium substrate was investigated experimentally and theoretically. The system exhibits strong sulphur-niobium bonds with fourfold symmetry which do not exist in bulk niobium chalcogenides. These bonds enhance the localization of occupied bands near the Fermi energy in two Nb MLs under the S ML and, due to changed symmetry and stoichiometry, push the p-states of the S ML to deeper binding energies as compared to Nb chalcogenides. The S ML shows strong iono-covalent bonding to Nb(001) with bonding states mainly due to S-3p and antibonding states due to Nb-4d orbitals.
Abstract (in Czech)
Teoreticky a experimentálně byla studována morfologická, krystalografická a elektronová struktura monovrstvy síry na povrchu Nb(001). Byla prokázána existence čtyřčetných vazeb mezi atomy síry a niobu, které zvyšují lokalizaci obsazených pásů blízko Fermiho energie ve dvou povrchových vrstvách Nb pod monovrstvou síry a posouvají p-stavy síry k hlubším energiím ve srovnání s chalkogenidy niobu. Monovrstva síry vykazuje silnou iontově-kovalentní vazbu k povrchu Nb(001), přičemž vazebné stavy jsou tvořeny hlavně 3-p stavy síry a antivazebné 4d stavy niobu.
Links
GA202/06/1509, research and development projectName: Teoretické studium struktury a magnetických vlastností vnitřních rozhraní v kovových materiálech
Investor: Czech Science Foundation, Theoretical studies of structure and magnetic properties of internal interfaces in metallic materials
GD106/05/H008, research and development projectName: Víceúrovňový design pokrokových materiálů
Investor: Czech Science Foundation, Multiscale design of advanced materials
MSM0021622410, plan (intention)Name: Fyzikální a chemické vlastnosti pokročilých materiálů a struktur
Investor: Ministry of Education, Youth and Sports of the CR, Physical and chemical properties of advanced materials and structures
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