A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2009; you can also visit the original URL.
The file type is
Electronic structure of theSi(111)3×3R30°−Bsurface
Physical Review B (Condensed Matter)
The plane-wave pseudopotential density functional theory ͑DFT͒ package FHI98MD has been used to optimize the geometry of the Si(111)ͱ3ϫͱ3R30°-B(S 5 ) configuration. The resultant geometry has been found to be in excellent agreement with recent experimental results. By calculating the band structure for the B(S 5 ) configuration and carefully analyzing the nature of the wave functions in the vicinity of the Fermi energy, we have been able to identify the surface states along the various symmetrydoi:10.1103/physrevb.66.085329 fatcat:xtqsedblh5h75i6jeflbgge4h4