Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5425082 | Surface Science | 2008 | 5 Pages |
By using reflection high-energy positron diffraction (RHEPD) and first-principles calculations, we investigated an In/Si(1Â 1Â 1) surface on which the quasi-one-dimensional In atomic chains that exhibit the metal-insulator transition were formed. From the analyses of rocking curves, we found the transformation of the zigzag chain structure of In atomic chains to hexagon structures below 130Â K along with the phase transition from the 4Â ÃÂ 1 to the 8Â ÃÂ 2 periodicities. The band structure calculated with the optimum hexagon structure displays the gap opening of 60Â meV, which indicates the semiconducting character. This confirms the recent theoretical prediction that the hexagon structure is energetically favored at low temperatures [C. González, F. Flores, J. Ortega, Phys. Rev. Lett. 96 (2006) 136101].