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Early stages of vanadium deposition on Si(1 1 1)-7 × 7 |
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| Authors: | MM de Araújo F Stavale AA Leitão H Niehus CA Achete Rodrigo B Capaz |
| Institution: | a Divisão de Metrologia de Materiais, Instituto Nacional de Metrologia, Normalização e Qualidade Industrial, Av. N. Sra. das Graças 50, Xerém, Duque de Caxias, RJ 25250-020, Brazil b Programa de Pós-Graduação em Engenharia Metalúrgica e de Materiais, Universidade Federal do Rio de Janeiro, Cx. Postal 68505, Rio de Janeiro, RJ 21945-970, Brazil c Departamento de Química, Universidade Federal de Juiz de Fora, Juiz de Fora, MG 36036-330, Brazil d Humboldt-Universität zu Berlin, Institut für Physik, Oberflächenphysik und Atomstoßprozesse, Newtonstr. 15, D-12489 Berlin, Germany e Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, Rio de Janeiro, RJ 21941-972, Brazil |
| Abstract: | We investigate the low-coverage regime of vanadium deposition on the Si(1 1 1)-7 × 7 surface using a combination of scanning tunnelling microscopy (STM) and density-functional theory (DFT) adsorption energy calculations. We theoretically identify the most stable structures in this system: (i) substitutional vanadium atoms at silicon adatom positions; (ii) interstitial vanadium atoms between silicon adatoms and rest atoms; and (iii) interstitial vanadium - silicon adatom vacancy complexes. STM images reveal two simple vanadium-related features near the Si adatom positions: bright spots at both polarities (BB) and dark spots for empty and bright spots for filled states (DB). We relate the BB spots to the interstitial structures and the DB spots to substitutional structures. |
| Keywords: | Silicon Vanadium (1 1 1) Surface 7 × 7 Reconstruction Adsorption STM DFT |
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