Structure of the diamond (111)-(2 × 1) surface revisited with ion scattering

• Published in: Surface science Vol. 396; no. 1; pp. 253 - 259
• Main Authors: Huisman, Willem Jan, Peters, J.F., van der Veen, J.F.
• Format: Journal Article
• Language: English
• Published: Lausanne Elsevier B.V 1998; Amsterdam Elsevier Science; New York, NY
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Diamond; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures; Exact sciences and technology; Low index single crystal surfaces; Medium energy ion scattering; Physics; Solid surfaces and solid-solid interfaces; Surface and interface electron states; Surface relaxation and reconstruction; Surface states, band structure, electron density of states; Surface structure; Surface structure and topography; Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties); Diamond; Surface relaxation and reconstruction; Low index single crystal surfaces; Medium energy ion scattering; Surface structure; Ion scattering analysis; Surface reconstruction; Energy gap; Electronic structure; Pi electron; Diamonds; Crystal faces; Experimental study
• ISSN: 0039-6028; 1879-2758
• DOI: 10.1016/S0039-6028(97)00695-X

We present a medium-energy ion scattering study of the reconstructed diamond (111)-(2 × 1) surface. Measured blocking patterns were compared with patterns calculated for a variety of structure models. We find that a π-bonded chain model featuring tilted chains best describes our data. The tilt explains the observed electronic band gap at the surface, but is at variance with the results of recent energy minimization calculations based on the local density approximation. Our results are in disagreement with a previous ion scattering study of the reconstructed diamond (111) surface.