A single layer of bismuth deposited on the Cu(100) surface forms long range ordered structural phases at various Bi density. A highly ordered c(2 x 2) reconstruction is accomplished at 0.5 ML, further Bi deposition induces a c(9 root 2 x root 2)R45 degrees structure and a subsequent p(10 x 10) phase related to the formation of regular dislocations arrays. The transition from a c(2 x 2) superstructure to the c(9 root 2 x root 2)R45 degrees phase is accompanied by a sudden decrease in the work function. Photoemission measurements reveal that the Bi induced states close to the Fermi level, associated to the c(2 x 2) phase, are strongly quenched when the arrays of dislocations are formed, while at higher binding energies, they undergo an energy shift probably due to a confinement effect. The low-energy single particle excitations and the electron dispersion of the Bi induced states of the c(2 x 2) phase are compared to the electronic states deduced by theoretical band structure obtained by ab initio calculation performed within the embedding method applied to a realistic semi-infinite system.

Bi ordered phases on Cu(100): Periodic arrays of dislocations influence the electronic properties / P. Gargiani, M.G. Izzo, F. Bussolotti, M.G. Betti, S. Achilli, M.I. Trioni. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 132:17(2010), pp. 174706.1-174706.6. [10.1063/1.3424741]

Bi ordered phases on Cu(100): Periodic arrays of dislocations influence the electronic properties

S. Achilli;
2010

Abstract

A single layer of bismuth deposited on the Cu(100) surface forms long range ordered structural phases at various Bi density. A highly ordered c(2 x 2) reconstruction is accomplished at 0.5 ML, further Bi deposition induces a c(9 root 2 x root 2)R45 degrees structure and a subsequent p(10 x 10) phase related to the formation of regular dislocations arrays. The transition from a c(2 x 2) superstructure to the c(9 root 2 x root 2)R45 degrees phase is accompanied by a sudden decrease in the work function. Photoemission measurements reveal that the Bi induced states close to the Fermi level, associated to the c(2 x 2) phase, are strongly quenched when the arrays of dislocations are formed, while at higher binding energies, they undergo an energy shift probably due to a confinement effect. The low-energy single particle excitations and the electron dispersion of the Bi induced states of the c(2 x 2) phase are compared to the electronic states deduced by theoretical band structure obtained by ab initio calculation performed within the embedding method applied to a realistic semi-infinite system.
ab initio calculations; band structure; binding energy; bismuth; dislocation arrays; Fermi level; long-range order; periodic structures; phase separation; photoelectron spectra; semimetallic thin films
Settore FIS/03 - Fisica della Materia
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/723056
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