TiC(100) surface relaxation studied with low-energy electron diffraction intensity analysis
Abstract
The atomic structure of TiC(100) was determined precisely by low-energy electron diffraction intensity analysis. The surface atomic structure is relaxed; the topmost C atoms are displaced outward and Ti atoms inward with respect to the truncated bulk atomic positions. The results agree qualitatively with earlier theoretical work [D. L. Price, J. M. Wills, and B. R. Cooper, Phys. Rev. Lett. 77, 3375 (1996)] and quantitatively with the latest theoretical results based on the first-principles molecular dynamics method [K. Kobayashi, Jpn. J. Appl. Phys., Part 1 39, 4311 (2000)].
- Publication:
-
Physical Review B
- Pub Date:
- February 2001
- DOI:
- 10.1103/PhysRevB.63.073407
- Bibcode:
- 2001PhRvB..63g3407T
- Keywords:
-
- 61.14.Hg;
- 68.35.Bs;
- Low-energy electron diffraction and reflection high-energy electron diffraction;
- Structure of clean surfaces