TiAlSiN coatings were deposited on Si substrates by ion beam-assisted deposition. The oxidation resistance and mechanism of TiAlSiN at 800°C, 900°C, and 1000°C under a nitrogen atmosphere were discussed and compared with those of TiAlSiN under argon and air atmospheres. The microstructure, bonding characteristics, and phase transition of the coatings were systematically investigated. The results indicated that nitrogen atmosphere effectively inhibited oxidation of the TiAlSiN coatings. The key reason for this improvement was that nitrogen maintained Ti–N and Si–N chemical bonds, and a dense Al2O3 layer was much more easily generated under the nitrogen atmosphere. We used first-principles calculations to investigate the electronic structures and bonding characteristics of TiAlSiN in this work.
SundgrenJ-E.Structure and properties of TiN coatings. Thin Solid Films. 1985;128:21–44. doi: 10.1016/0040-6090(85)90333-5
2.
DerflingerVH, SchützeA, AnteM.Mechanical and structural properties of various alloyed TiAlN-based hard coatings. Surf Coat Technol. 2006;200:4693–4700. doi: 10.1016/j.surfcoat.2005.02.065
3.
KulkarniAP, SargadeVG.Characterization and performance of AlTiN, AlTiCrN, TiN/TiAlN PVD coated carbide tools while turning SS 304. Mater Manuf Process. 2015;30:748–755. doi: 10.1080/10426914.2014.984217
4.
HsiehJH, TanALK, ZengXT.Oxidation and wear behaviors of Ti-based thin films. Surf Coat Technol. 2006;201:4094–4098. doi: 10.1016/j.surfcoat.2006.08.026
5.
RaviN, MarkandeyaR, JoshiSV.Fracture behaviour of nc-TiAlN/a-Si3N4 nanocomposite coating during nanoimpact test. Surf Eng. 2017;33(4):282–291. doi: 10.1080/02670844.2016.1239853
6.
LuoQ, RainforthW, MünzW-D.Wear mechanisms of monolithic and multicomponent nitride coatings grown by combined arc etching and unbalanced magnetron sputtering. Surf Coat Technol. 2001;146–147:430–435. doi: 10.1016/S0257-8972(01)01397-4
Mège-RevilA, SteyerP, CardinalS, Correlation between thermal fatigue and thermomechanical properties during the oxidation of multilayered TiSiN nanocomposite coatings synthesized by a hybrid physical/chemical vapour deposition process. Thin Solid Films. 2010;518:5932–5937. doi: 10.1016/j.tsf.2010.05.092
9.
ChangY-Y, YangS-M.High temperature oxidation behavior of multicomponent TiAlSiN coatings. Thin Solid Films. 2010;518:S34–SS7. doi: 10.1016/j.tsf.2010.03.020
10.
ZhuL, HuM, NiW, High temperature oxidation behavior of Ti0.5Al0.5N coating and Ti0.5Al0.4Si0.1N coating. Vacuum. 2012;86:1795–1799. doi: 10.1016/j.vacuum.2012.04.013
11.
ZhangK, WangLS, YueGH, Structure and mechanical properties of TiAlSiN/Si3N4 multilayer coatings. Surf Coat Technol. 2011;205:3588–3595. doi: 10.1016/j.surfcoat.2010.12.035
12.
ChenT, XieZ, GongF, Correlation between microstructure evolution and high temperature properties of TiAlSiN hard coatings with different Si and Al content. Appl Surf Sci. 2014;314:735–745. doi: 10.1016/j.apsusc.2014.06.057
13.
KuptsovKA, Kiryukhantsev-KorneevPV, SheveykoAN, Structural transformations in TiAlSiCN coatings in the temperature range 900–1600°C. Acta Mater. 2015;83:408–418. doi: 10.1016/j.actamat.2014.10.007
14.
OnoprienkoAA, IvashchenkoVI, PodchernyaevaIA, Production of Ti–Al–Si–B–N films by magnetron sputtering and study of their mechanical properties. Powder Metall Metal Ceram. 2014;53:353–358. doi: 10.1007/s11106-014-9623-1
15.
XuJ, ShaoT, WeiS, Effect of ion beam bombardment on the properties of Ni films deposited on polyimide by ion beam assisted deposition. Surf Coat Technol. 2010;204:3443–3450. doi: 10.1016/j.surfcoat.2010.04.005
16.
SuK, LiuD, ShaoT.Microstructure and mechanical properties of TiAlSiN nano-composite coatings deposited by ion beam assisted deposition. Sci China Technol Sci. 2015;58:1682–1688. doi: 10.1007/s11431-015-5878-0
17.
LiS, DengJ, QinX, Effects of Ti target current on properties of TiSiN coatings. Surf Eng. 2017;33(8):578–584. doi: 10.1080/02670844.2015.1125408
18.
HaoS, DelleyB, StampflC.Structure and properties of TiN(111)∕SixNy∕TiN(111) interfaces in superhard nanocomposites: first-principles investigations. Phys Rev B. 2006;74.
19.
ZhangR, ArgonA, VeprekS.Electronic structure, stability, and mechanism of the decohesion and shear of interfaces in superhard nanocomposites and heterostructures. Phys Rev B. 2009;79:3.
20.
LiuX, RenY, TanX, The structure of Ti–Si–N superhard nanocomposite coatings: ab initio study. Thin Solid Films. 2011;520:876–880. doi: 10.1016/j.tsf.2011.08.003
21.
MommaK, IzumiF.Vesta 3 for three-dimensional visualization of crystal, volumetric and morphology data. J Appl Crystallogr. 2011;44:1272–1276. doi: 10.1107/S0021889811038970
22.
ClarkSJ, SegallMD, PickardCJ, First principles methods using CASTEP. Z Kristallogr. 2005;220(5/6):567–570.
23.
SegallMD, PhilipJDL, ProbertMJ, First-principles simulation: ideas, illustrations and the CASTEP code. J Phys Condens Mater. 2002;14:2717. doi: 10.1088/0953-8984/14/11/301
24.
PerdewJP, BurkeK, ErnzerhofM.Generalized gradient approximation made simple. Phys Rev Lett. 1996;77:3865–3868. doi: 10.1103/PhysRevLett.77.3865
25.
RaviN, MarkandeyaR, JoshiSV.Effect of substrate roughness on adhesion and tribological properties of nc-TiAlN/a-Si3N4 nanocomposite coatings deposited by cathodic arc PVD process. Surf Eng. 2017;33(1):7–19. doi: 10.1179/1743294415Y.0000000005
26.
Esguerra-ArceA, MischlerS, MoyaS, Atomic aluminum content (x) effect on fretting-corrosion of Ti1− x Alx N coatings for orthopedic applications. Wear. 2016;362–363:87–96. doi: 10.1016/j.wear.2016.05.015
27.
LiuH, GaoL.Codoped rutile TiO2 as a new photocatalyst for visible light irradiation. Chem Lett. 2004;33:730–731. doi: 10.1246/cl.2004.730
28.
IvashchenkoV, SkrynskiiP, LitvinO, Structure and properties of nanostructured NbN and Nb-Si-N films depending on the conditions of deposition: experiment and theory. Phys Metal Metallogr. 2015;116:1015–1028. doi: 10.1134/S0031918X15080062
29.
ZhaoX, LeavyM, MagtotoN, Copper wetting of a tantalum silicate surface: implications for interconnect technology. Appl Phys Lett. 2001;79:3479–3481. doi: 10.1063/1.1418025
WangX, XuJ, MaS, Effects of annealing temperature on the microstructure and hardness of TiAlSiN hard coatings. Chin Sci Bull. 2011;56:1727–1731. doi: 10.1007/s11434-010-4237-6
32.
XinL, ChenQ, TengY, Effects of silicon and multilayer structure of TiAl (Si) N coatings on the oxidation resistance of Ti6Al4 V. Surf Coat Technol. 2013;228:48–58. doi: 10.1016/j.surfcoat.2013.04.003
33.
Pélisson-ScheckerA, HugHJ, PatscheiderJ.Charge referencing issues in XPS of insulators as evidenced in the case of Al-Si-N thin films. Surf Interface Anal. 2012;44:29–36. doi: 10.1002/sia.3765
34.
MadaanN, KanyalSS, JensenDS, Thermally evaporated iron (oxide) on an alumina barrier layer, by XPS. Surf Sci Spectra. 2013;20:49–54. doi: 10.1116/11.20121104
35.
FeliuS, BartoloméMJ.Influence of alloying elements and etching treatment on the passivating films formed on aluminium alloys. Surf Interface Anal. 2007;39:304–316. doi: 10.1002/sia.2456
36.
HopfengärtnerG, BorgmannD, RademacherI, XPS studies of oxidic model catalysts: internal standards and oxidation numbers. J Electron Spectrosc Relat Phenom. 1993;63:91–116. doi: 10.1016/0368-2048(93)80042-K
37.
LeinenD, FernándezA, EspinósJP, An XPS study of the mixing effects induced by ion bombardment in composite oxides. Appl Surf Sci. 1993;68:453–459. doi: 10.1016/0169-4332(93)90226-2
38.
BarrèreF, LebugleA, van BlitterswijkCA, Calcium phosphate interactions with titanium oxide and alumina substrates: an XPS study. J Mater Sci Mater Med. 2003;14:419–425. doi: 10.1023/A:1023210817683
39.
HolecD, FranzR, MayrhoferPH, Structure and stability of phases within the NbN–AlN system. J Phys D Appl Phys. 2010;43:145403. doi: 10.1088/0022-3727/43/14/145403
40.
AllingB, RubanA, KarimiA, Mixing and decomposition thermodynamics of c-Ti1-xAlxN from first-principles calculations. Phys Rev B. 2007;75(4):045123. doi: 10.1103/PhysRevB.75.045123
41.
SegallMD, PickardCJ, ShahR, Population analysis in plane wave electronic structure calculations. Mol Phys. 1996;89:571–577. doi: 10.1080/002689796173912
