The mechanism for the 3 x 3 distortion of Sn/ge (111)

Abstract

We show that two distinct $3\times 3$ ground states, one nonmagnetic, metallic, and distorted, the other magnetic, semimetallic (or insulating) and undistorted, compete in $\alpha$-phase adsorbates on semiconductor (111) surfaces. In Sn/Ge(111), LSDA/GGA calculations indicate, in agreement with experiment, that the distorted metallic ground state prevails. The reason for stability of this state is analysed, and is traced to a sort of bond density wave, specifically a modulation of the antibonding state filling between the adatom and a Ge-Ge bond directly underneath.

References in corpus (1)

• Phase transitions in two dimensions - the case of Sn adsorbed on Ge(111) surfaces

Cited by in corpus (11)

• Triangular Mott-Hubbard Insulator Phases of Sn/Si(111) and Sn/Ge(111) Surfaces
• Surface soft phonon and the root3 x root3 <--> 3 x 3 phase transition in Sn/Ge(111) and Sn/Si(111)
• Disproportionation Phenomena on Free and Strained Sn/Ge(111) and Sn/Si(111) Surfaces
• Realistic modeling of the electronic structure and the effect of correlations for Sn/Si(111) and Sn/Ge(111) surfaces
• The order-disorder transition of the (3x3)Sn/Ge(111) phase
• The order-disorder character of the (3x3) to (sqrt3 x sqrt3)R30&#176; phase transition of Sn on Ge(111)
• Determination of the (3x3)-Sn/Ge(111) structure by photoelectron diffraction
• A low temperature disordered phase of alpha-Pb/Ge(111)
• Surface Phase Transitions Induced by Electron Mediated Adatom-Adatom Interaction
• Ferrimagnetic Slater Insulator Phase of the Sn/Ge(111) Surface
• Ge-substitutional defects and the r3xr3 <--> 3x3 transition in alpha--SnGe(111)