Structure of the Al13Co4(100) surface: Combination of surface x-ray diffraction and ab initio calculations

The structure of the quasicrystalline approximant Al13Co4(100) has been determined by surface x-ray diffraction (SXRD) and complementary density-functional-theory (DFT) calculations. Thanks to the use of a two-dimensional pixel detector, which speeds up the data acquisition enormously, an exceptiona...

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Veröffentlicht in:	Physical review. B 2016-10, Vol.94 (16), p.165406
Hauptverfasser:	Gaudry, É, Chatelier, C, McGuirk, G M, Serkovic Loli, L N, de Weerd, M-C, Ledieu, J, Fournée, V, Felici, R, Drnec, J, Beutier, G, de Boissieu, M
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences Condensed Matter Density functional theory Diffraction Material chemistry Materials Science Mathematical models Physics Planes Surface energy Unit cell X-ray diffraction
Online-Zugang:	Volltext
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