Combined XPS and first principle study of metastable Mg-Ti thin films

I. J.T. Jensen*, O. M. Løvvik, H. Schreuders, B. Dam, S. Diplas

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

6 Citations (Scopus)


X-ray photoelectron spectroscopy (XPS) was employed to investigate Mg 80Ti 20 thin film samples prepared by magnetron sputtering and density functional theory (DFT) calculations were performed on atomistic models with similar stoichiometry. As Ti is known to be immiscible in Mg, the microstructure and atomic distribution of Mg-Ti thin films are not fully understood. In this work, it was shown by DFT calculations that the density of states (DOS) depends strongly on whether Ti is arranged in nano-clusters or if it is distributed quasi-randomly. The calculated DOS was compared to valence band spectra measured by XPS, as a new way of indirectly probing short-range order of such thin films. The XPS results of Mg 80Ti 20 were found to correspond best with the DOS calculated for the nano-cluster model, supporting the view that Ti forms small clusters in such sputtered thin films.

Original languageEnglish
Pages (from-to)986-988
Number of pages3
JournalSurface and Interface Analysis
Issue number8
Publication statusPublished - Aug 2012


  • density of states
  • DFT
  • metastable
  • thin films
  • valence
  • XPS


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