TY - JOUR
T1 - TiC(100) surface relaxation studied with low-energy electron diffraction intensity analysis
AU - Tagawa, M.
AU - Okuzawa, M.
AU - Kawasaki, T.
AU - Oshima, C.
AU - Otani, S.
AU - Nagashima, A.
PY - 2001
Y1 - 2001
N2 - 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)].
AB - 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)].
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M3 - Article
AN - SCOPUS:0035099214
VL - 63
SP - 734071
EP - 734073
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 7
M1 - 073407
ER -