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Growth and Characterization of Ti-Si-N Hard Coatings
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
2006 (English)Licentiate thesis, comprehensive summary (Other academic)
Abstract [en]

Metastable (Ti,Si)N alloy and TiN/SiNx multilayer thin solid films as well as SiNx/TiN surfaces have been explored. Cubic Ti1-xSixN (0≤x≤0.14) films deposited onto cemented carbide (WC-Co) substrates by arc evaporation exhibited a competitive columnar growth mode where the structure transforms to a feather-like nanostructure with increasing Si content as revealed by x-ray diffraction and transmission electron microscopy. X-ray photoelectron spectroscopy revealed the presence of Ti-N and Si-N bonding, but no amorphous Si3N4. Band structure calculations showed that phase separation of NaClstructure Ti1-xSixN solid solution into cubic SiN and TiN phases is energetically favorable. The metastable microstructure, however, was maintained for the Ti0.86Si0.14N film annealed at 900°C, while recrystallization in the cubic state took place at 1100°C annealing during 2h. The Si content influenced the film hardness close to linearly, by combination of solid-solution hardening in the cubic state and defect hardening. For x=0 and x=0.14, nanoindentation gave a hardness of 29.9±3.4 GPa and 44.7±1.9 GPa, respectively. The hardness was retained during annealing at 900°C.

Nanostructured materials, e.g., nanocomposites and nanolaminates, are defined by internal interfaces, of which the nature is still under debate. In this work two-phase model systems were explored by depositing SiNx/TiN nanolaminate films, including superlattices containing cubic SiNx, by dual target reactive magnetron sputtering. It is demonstrated that the interfacial phase of SiNx onto TiN(001) and TiN(111) can be crystalline, and even epitaxial with complex surface reconstructions. Using in situ structural analyses combined with ab initio calculations, it is found that SiNx layers grow epitaxially, giving rise to strong interfacial bonding, on both TiN(001) and TiN(111) surfaces. In addition, TiN overlayers grow epitaxially on SiNx/TiN(001) bilayers in nanolaminate structures. These results provide insight into the development of design rules for novel nanostructured materials.

Place, publisher, year, edition, pages
Institutionen för fysik, kemi och biologi , 2006. , 53 p.
Series
Linköping Studies in Science and Technology. Thesis, ISSN 0280-7971 ; 1270
Keyword [en]
Ti-Si-N, physical vapor deposition, nitrides, density functional theory, transmission electron microscopy, nanocomposits, nanolaminates, solid solutions
National Category
Other Engineering and Technologies not elsewhere specified
Identifiers
URN: urn:nbn:se:liu:diva-7741ISBN: 91-85643-85-8 (print)OAI: oai:DiVA.org:liu-7741DiVA: diva2:22724
Presentation
2006-11-03, Planck, Hus E, Campus Valla, Linköpings universitet, Linköping, 10:15 (English)
Opponent
Supervisors
Note
Report code: LiU-TEK-LIC-2006:51.Available from: 2006-11-15 Created: 2006-11-15 Last updated: 2016-08-31
List of papers
1. Influence of Si on the Microstructure of Arc Evaporated (Ti,Si)N Thin Films: Evidence for Cubic Solid Solutions and their Thermal Stability
Open this publication in new window or tab >>Influence of Si on the Microstructure of Arc Evaporated (Ti,Si)N Thin Films: Evidence for Cubic Solid Solutions and their Thermal Stability
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2005 (English)In: Surface and Coatings Technology, ISSN 0257-8972, Vol. 200, no 5-6, 1535-1542 p.Article in journal (Refereed) Published
Abstract [en]

Ti1−xSixN (0 ≤ x ≤ 0.14) thin solid films were deposited onto cemented carbide (WC-Co) substrates by arc evaporation. X-ray diffraction and transmission electron microscopy showed that all films were of NaCl-structure type phase. The as-deposited films exhibited a competitive columnar growth mode where the structure transits to a feather-like nanostructure with increasing Si content. Films with 0 ≤ x ≤ 0.01 had a 111 crystallographic preferred orientation which changed to an exclusive 200 texture for 0.05 ≤ x ≤ 0.14. X-ray photoelectron spectroscopy revealed the presence of Si–N bonding, but no amorphous Si3N4. Band structure calculations performed using a full potential linear muffin tin orbital method showed that for a given NaCl-structure Ti1−xSixN solid solution, a phase separation into cubic SiN and TiN is energetically favorable. The microstructure was maintained for the Ti0.86Si0.14N film annealed at 900 °C, while recrystallization in the cubic state took place at 1100 °C annealing during 2 h. The Si content influenced the film hardness close to linearly, by combination of solid-solution hardening in the cubic state and defect hardening. For x = 0 and x = 0.14, nanoindentation gave a hardness of 31.3 ± 1.3 GPa and 44.7 ± 1.9 GPa, respectively. The hardness was retained after annealing at 900 °C, while it decreased to below 30 GPa for 1100 °C following recrystallization and W and Co interdiffusion.

Keyword
Nitrides; Arc evaporation; Transmission electron microscopy (TEM); Thin films; Solid solution; Microstructure
National Category
Engineering and Technology
Identifiers
urn:nbn:se:liu:diva-14144 (URN)10.1016/j.surfcoat.2005.08.096 (DOI)
Available from: 2006-11-15 Created: 2006-11-15 Last updated: 2016-08-31
2. Interface structure in superhard TiN-SiN nanolaminates and nanocomposites: film growth experiments and ab initio calculations
Open this publication in new window or tab >>Interface structure in superhard TiN-SiN nanolaminates and nanocomposites: film growth experiments and ab initio calculations
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2007 (English)In: Physical Review. B, ISSN 1098-0121, Vol. 75, no 15, 155437- p.Article in journal (Refereed) Published
Abstract [en]

Nanostructured materials—the subject of much of contemporary materials research—are defined by internal interfaces, the nature of which is largely unknown. Yet, the interfaces determine the properties of nanocomposites and nanolaminates. An example is nanocomposites with extreme hardness70–90  GPa, which is of the order of, or higher than, diamond. The Ti-Si-N system, in particular, is attracting attention for the synthesis of such superhard materials. In this case, the nanocomposite structure consists of TiN nanocrystallites encapsulated in a fully percolated SiNx “tissue phase” (1 to 2 monolayers thick) that is assumed to be amorphous. Here, we show that the interfacial tissue phase can be crystalline, and even epitaxial with complex surface reconstructions. Using in situ structural analyses combined with ab initio calculations, we find that SiNx layers grow epitaxially, giving rise to strong interfacial bonding, on both TiN(001) and TiN(111) surfaces. In addition, TiN overlayers grow epitaxially on SiNx/TiN(001) bilayers in nanolaminate structures. These results provide insight into the development of design rules for new nanostructured materials.

National Category
Physical Sciences
Identifiers
urn:nbn:se:liu:diva-13316 (URN)10.1103/PhysRevB.75.155437 (DOI)
Available from: 2008-05-27 Created: 2008-05-27 Last updated: 2016-08-31

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