Peculiarity of self-assembled cubic nanolamellae in the TiN/AlN system: Epitaxial self-stabilization by element deficiency/excess

作者: J. Zalesak , D. Holec , I. Matko , M. Petrenec , B. Sartory

DOI: 10.1016/J.ACTAMAT.2017.04.009

关键词: Lattice constantElectron energy loss spectroscopyGrain boundaryTinEpitaxyCrystallographyMicrostructureMaterials scienceThin filmChemical vapor deposition

摘要: Abstract Synthesis of self-assembled thin films with multi-layered microstructures and outstanding functional properties represents a challenging task. In this work, detailed microstructural chemical analyses ∼3.8 μm thick cubic (c) (Al x Ti 1- ) y N film grown by low pressure vapour deposition on Al 2 O 3 (0001) substrate is discussed. The an overall fraction ∼0.8 consists alternating non-stoichiometric Al-rich Ti-rich nanolamellae thicknesses ∼11 ∼1.5 nm. X-ray diffraction, electron microscopy energy loss spectroscopy indicate that the coherency primarily result deficiency in excess nanolamellae, which induce decrease increase lattice parameters, compared to parameters stoichiometric rock-salt c-TiN c-AlN, respectively. Therefore self-assembly allows formation c-(Al atomic 0.9–1.0, are stabilized neighbouring as cube-on-cube epitaxy. effect parameter self-adjustment coherent element verified ab initio calculations. compositional morphological matches interfaces at grain boundaries, terraced growth tetrahedral surface morphology unzipped facets well uniform thickness across depth formed kinetically-controlled oscillating reactions during growth. understanding fascinating nanolamellar microstructure containing meta-stable c-AlN , does not exist bulk form ambient conditions, milestone technology.

参考文章(45)
L.J.S. Johnson, N. Ghafoor, D. Engberg, M. Thuvander, K. Stiller, M. Odén, L. Hultman, Self-organized nanostructuring in Zr0.69Al0.31N thin films studied by atom probe tomography Thin Solid Films. ,vol. 615, pp. 233- 238 ,(2016) , 10.1016/J.TSF.2016.07.034
H. Euchner, P.H. Mayrhofer, Vacancy-dependent stability of cubic and wurtzite Ti1−xAlxN Surface & Coatings Technology. ,vol. 275, pp. 214- 218 ,(2015) , 10.1016/J.SURFCOAT.2015.05.017
Paul Heinz Mayrhofer, D Music, JM Schneider, None, Ab initio calculated binodal and spinodal of cubic Ti1−xAlxN Applied Physics Letters. ,vol. 88, pp. 071922- ,(2006) , 10.1063/1.2177630
M. Schlögl, C. Kirchlechner, J. Paulitsch, J. Keckes, P.H. Mayrhofer, Effects of structure and interfaces on fracture toughness of CrN/AlN multilayer coatings Scripta Materialia. ,vol. 68, pp. 917- 920 ,(2013) , 10.1016/J.SCRIPTAMAT.2013.01.039
S PalDey, S.C Deevi, Single layer and multilayer wear resistant coatings of (Ti,Al)N: a review Materials Science and Engineering A-structural Materials Properties Microstructure and Processing. ,vol. 342, pp. 58- 79 ,(2003) , 10.1016/S0921-5093(02)00259-9
I. Petrov, E. Mojab, R. C. Powell, J. E. Greene, L. Hultman, J.‐E. Sundgren, Synthesis of metastable epitaxial zinc‐blende‐structure AlN by solid‐state reaction Applied Physics Letters. ,vol. 60, pp. 2491- 2493 ,(1992) , 10.1063/1.106943
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
R. Rachbauer, S. Massl, E. Stergar, D. Holec, D. Kiener, J. Keckes, J. Patscheider, M. Stiefel, H. Leitner, P. H. Mayrhofer, Decomposition pathways in age hardening of Ti-Al-N films Journal of Applied Physics. ,vol. 110, pp. 023515- ,(2011) , 10.1063/1.3610451
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
N. Norrby, H. Lind, G. Parakhonskiy, M. P. Johansson, F. Tasnádi, L. S. Dubrovinsky, N. Dubrovinskaia, I. A. Abrikosov, M. Odén, High pressure and high temperature stabilization of cubic AlN in Ti0.60Al0.40N Journal of Applied Physics. ,vol. 113, pp. 053515- ,(2013) , 10.1063/1.4790800