TY - JOUR

T1 - Nanocomposite versus solid solution formation in the TiSiN system

AU - Schalk, Nina

AU - Moritz, Yvonne

AU - Nayak, Ganesh Kumar

AU - Holec, David

AU - Hugenschmidt, C.

AU - Burwitz, V.V.

AU - Mathes, L.

AU - Schiester, Maximilian

AU - Saringer, Christian

AU - Czettl, Christoph

AU - Pohler, Markus

AU - Mitterer, Christian

AU - Tkadletz, Michael

N1 - Publisher Copyright: © 2024

PY - 2024/5/30

Y1 - 2024/5/30

N2 - This work contributes to the ongoing scientific debate on the structure of TiSiN coatings. In order to illuminate the formation of a nanocomposite structure versus the formation of a Ti 1-xSi xN solid solution, a series of TiSiN coatings was synthesized and the influence of varying N 2 pressures and the addition of Ar to the deposition atmosphere on the structure of TiSiN coatings was investigated in detail. The powdered TiSiN coatings all exhibited a lower lattice parameter than reported for TiN, which further decreased with increasing N 2 pressure, at comparable elemental compositions. For all coatings the presence of a crystalline Ti 1-xSi xN solid solution as well as an amorphous SiN x phase fraction could be detected, where more Si was incorporated into the Ti 1-xSi xN solid solution at higher pressures, due to less energetic growth conditions and the additional kinetic activation stemming from Ar ions resulted in less Si incorporation. Density functional theory calculations showed that defects only play a subordinate role for the low observed lattice parameters.

AB - This work contributes to the ongoing scientific debate on the structure of TiSiN coatings. In order to illuminate the formation of a nanocomposite structure versus the formation of a Ti 1-xSi xN solid solution, a series of TiSiN coatings was synthesized and the influence of varying N 2 pressures and the addition of Ar to the deposition atmosphere on the structure of TiSiN coatings was investigated in detail. The powdered TiSiN coatings all exhibited a lower lattice parameter than reported for TiN, which further decreased with increasing N 2 pressure, at comparable elemental compositions. For all coatings the presence of a crystalline Ti 1-xSi xN solid solution as well as an amorphous SiN x phase fraction could be detected, where more Si was incorporated into the Ti 1-xSi xN solid solution at higher pressures, due to less energetic growth conditions and the additional kinetic activation stemming from Ar ions resulted in less Si incorporation. Density functional theory calculations showed that defects only play a subordinate role for the low observed lattice parameters.

KW - Atom probe tomography

KW - Coatings

KW - Microstructure

KW - Nanocomposite

KW - Solid solution

KW - TiSiN

KW - X-ray diffraction

UR - http://www.scopus.com/inward/record.url?scp=85195049039&partnerID=8YFLogxK

U2 - 10.1016/j.actamat.2024.120063

DO - 10.1016/j.actamat.2024.120063

M3 - Article

VL - 275.2024

JO - Acta materialia

JF - Acta materialia

SN - 1359-6454

IS - 15 August

M1 - 120063

ER -