TY - JOUR
T1 - Model band structure of reconstructed (111) 2 × 1 surface of silicon
AU - Selloni, A.
AU - Tosatti, E.
N1 - Funding Information:
Elementary chemical reasoning6’7 and more dab, orate band structure calculations for the ideal surface8 agree on indicating that a crucial role must be played in the reconstruction phenomenon by the partially filled dangling bonds (DB), which stick out of the (111) surface. The way DB’s distort from their ideal sp3 shape and configuration to produce a 2 x 1 reconstruction has been argued chemically as: * Work partially supported by the Consiglio Nazionale delle Ricerche, Gruppo Nazionale di Struttura della Materia, Sezione di Roma.
PY - 1975/8/1
Y1 - 1975/8/1
N2 - We have computed the electronic band structure for a model of the 2 × 1-reconstructed (111) surface of Si, based on 2 two-dimensional net of dangling bonds. A pairing of surface atoms is assumed, involving a displacement and a tilting of the dangling bonds towards each other. The energy gap that separates the two bands of surface states obtained increases with the degree of reconstruction, which is taken as a parameter. Experimental data, particularly surface optical absorption, find a satisfactory explanation in terms of this calculation, which indicates in Si (111) 2 × 1 a shift of the surface atoms by about 8% of their ideal distance.
AB - We have computed the electronic band structure for a model of the 2 × 1-reconstructed (111) surface of Si, based on 2 two-dimensional net of dangling bonds. A pairing of surface atoms is assumed, involving a displacement and a tilting of the dangling bonds towards each other. The energy gap that separates the two bands of surface states obtained increases with the degree of reconstruction, which is taken as a parameter. Experimental data, particularly surface optical absorption, find a satisfactory explanation in terms of this calculation, which indicates in Si (111) 2 × 1 a shift of the surface atoms by about 8% of their ideal distance.
UR - http://www.scopus.com/inward/record.url?scp=0016540038&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0016540038&partnerID=8YFLogxK
U2 - 10.1016/0038-1098(75)90317-8
DO - 10.1016/0038-1098(75)90317-8
M3 - Article
AN - SCOPUS:0016540038
VL - 17
SP - 387
EP - 390
JO - Solid State Communications
JF - Solid State Communications
SN - 0038-1098
IS - 3
ER -