Stuttgart 2012 – wissenschaftliches Programm

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SYPD: Symposium Plasma Deposition von funktionellen Schichten

SYPD 2: Plasmatechnik und Anwendungen

SYPD 2.4: Hauptvortrag

Donnerstag, 15. März 2012, 15:30–16:00, V57.03

Phase stability of TiAlNO (SFB TR 87) — •Jochen Schneider — Lehrstuhl für Werkstoffchemie, RWTH Aachen

Sarakinos et al. has recently highlighted the importance of defects for the phase formation in high power pulsed sputtered HfNO thin films. [1] Using ab initio calculations, the role of defects in TiAlN as well as oxygen incorporation in TiAlN were studied. Vacancies, substitutions, interstitials and combinations thereof in different configurations have been investigated in terms of crystal energies, enthalpies of formation and bulk moduli. The energy of mixing of TiAlN and hypothetical isostructural TiAlO is negative which may imply the possibility to form TiAlNO in NaCl structure. The influence on enthalpy of formation of metal vacancies is calculated as well as on enthalpy of formation of interstitial oxygen. It is shown that oxygen on the nitrogen sublattice leads to spontaneous incorporation of interstitial oxygen. Possible reasons are discussed. Thin films of TiAlNO are prepared using high power pulsed magnetron sputtering of a TiAl target in mixed nitrogen and oxygen atmosphere. It is shown that a high oxygen flux leads to the formation of amorphous films. The influence of temperature on structure, and elastic propertiesis determined. Furthermore, thermal stability and thermogravimetric data are presented. [1] K. Sarakinos, D. Music, S. Mráz, M. to Baben, K. Jiang, F. Nahif, A. Braun, C. Zilkens, S. Konstantinidis, F. Renaux, D. Cossement, F. Munnik, and J.M. Schneider: On the phase formation of sputtered hafnium oxide and oxynitride films, Journal of Applied Physics 108 (1) (2010) 014909-1.