Growth and crystallographic structure of TiTe$_2$ on Au(111): From sub-monolayer structures to single- and multi-layer films

Andreas Raabgrund; Tilman Kißlinger; Alexander Wegerich; Lutz Hammer; M. Alexander Schneider

doi:10.1103/xydg-j877

paper

Growth and crystallographic structure of TiTe $_{2}$ on Au(111): From sub-monolayer structures to single- and multi-layer films

arXiv:2602.16647 · doi:10.1103/xydg-j877

Abstract

We investigated the initial growth of TiTe $_{2}$ on Au(111) from sub-monolayer to multi-layer coverage by scanning tunneling microscopy (STM), low-energy electron diffraction intensity analysis (LEED-IV), and density functional theory (DFT). In the submonolayer regime we find a stable and well-ordered $(5 \times 3)_{rect}$ superstructure consisting of separated TiTe $_{2}$ molecules, whereby the Ti atoms substitute Au atoms of the first substrate layer as proven by LEED-IV. By adding further Ti and Te in a 1:2 ratio and proper annealing dealloying sets in and a homogeneous 1T-TiTe $_{2}$ monolayer film on an unreconstructed substrate is formed. The resulting moiré structure is close to a $(4 \times 4)$ superstructure w.r.t. Au(111) and has a slightly expanded in-plane lattice parameter compared to the 1T-TiTe $_{2}$ bulk value. With further stoichiometric deposition, thicker 1T-TiTe $_{2}$ films grow. Surprisingly, a five layer thick film exhibits an even larger lattice-parameter (1.5 % larger than the bulk value). All LEED-IV analyses are based on best-fit R-factors of $R \leq 0.13$ .

arXiv comment15 pages, 8 figures

Growth and crystallographic structure of TiTe2​ on Au(111): From sub-monolayer structures to single- and multi-layer films

Abstract

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Growth and crystallographic structure of TiTe $_{2}$ on Au(111): From sub-monolayer structures to single- and multi-layer films