Multi-scale modeling of deposition and re-sputtering of NixTi1-x thin film in a magnetron sputtering chamber

• Autorzy: Dey A. , Aich S. , Ghosh S. , Mohapatra S. S. , Kumar A. , Behera A.

Warianty tytułu

Wieloskalowe modelowanie osadzania i ponownego rozpylania cienkiej warstwy NixTi1-x, w magnetronowej komorze napylającej

• Języki publikacji: EN

Abstrakty

EN

Deposition and re-sputtering of Ni-Ti thin films by magnetron sputtering was simulated using a multi-scale modeling approach. The sputtering of Ni and Ti targets and the transport of sputtered Ni and Ti atoms through the background gas were simulated using a Monte-Carlo approach, while the deposition of the sputtered atom onto the film surface was analyzed using molecular dynamics. The interaction of Ar+ ions with the deposited film under the influence of substrate bias was also simulated using a Monte-Carlo approach. The distribution of sputtered atoms over the substrate and the fraction of total sputtered atoms from Ni and Ti targets that reached the substrate were calculated for an off centred target which made an angle of 30° with the substrate. The effects of target voltage and gas temperature on the distribution of sputtered atom over substrate were studied with the help of the aforesaid simulations. It was observed that with increasing target voltage, the fraction of sputtered atoms reaching the substrate was increased slightly for a pure Ni target, while it showed very little change for a pure Ti target. With increasing gas temperature, the value for the same decreased initially, but increased beyond a critical temperature. The velocities of incident Ni and Ti atoms on the substrate were calculated and it was found that no intrinsic re-sputtering could take place for a Ni0.5Ti0.5 thin film under the simulated conditions. The fraction of deposited atoms that were re-sputtered by Ar+ ions under varying substrate bias was also calculated and was found to increase substantially with the increase in the magnitude of the substrate bias voltage. Finally, the stability of crystalline and amorphous Ni and Ti were estimated on the basis of fraction of atoms re-sputtered using a classical molecular dynamics approach.

PL

Osadzanie i ponowne rozpylania cienkiej warstwy NixTi|.x w magnetronowej komorze napylającej było symulowane z zastosowaniem modelowania wieloskalowego. Rozpylanie Ni i T oraz transport rozpylanych atomów przez gaz w komorze symulowano metodą Monte Carlo, a osadzanie rozpylanych atomów na powierzchni cienkiej warstwy analizowano za pomocą metody dynamiki molekularnej. Oddziaływanie jonów Ar z osadzoną warstwą z uwzględnieniem wpływu nachylenia podłoża symulowano również metodą Monte Carlo. Rozkład osadzanych atomów na podłożu i ułamek osadzonych atomów Ni i Ti które osiągnęły podłoże dla przesuniętego celu nachylonego pod kątem 30° do podłoża. Na podstawie wykonanych symulacji oceniono wpływ napięcia w komorze i temperatury gazu na rozkład osadzonych atomów. Zaobserwowano, że wraz ze wzrostem napięcia dla celu z czystego Ni wzrasta nieznacznie ułamek rozproszonych atomów, które osiągnęły cel. Ten wpływ jest pomijalny dla czystego Ti. Wraz ze wzrostem temperatury wspomniany ułamek początkowo maleje a następnie powyżej temperatury krytycznej zaczyna wzrastać. Obliczone zostały prędkości atomów Ni i Ti osiągających podłoże i zauważono, że ponowne rozpylanie w warunkach symulacji dla cienkiego filmu Ni0.5Ti0.5 nie jest możliwe. W dalszej kolejności obliczono ułamek osadzonych atomów, które zostały ponownie rozpylone przez jony Ar1 dla różnego nachylenia podłoża. Zaobserwowano, że wzrost wielkości napięcia podłoża znacznie zwiększa ten ułamek. W końcowej części pracy na podstawie oceny ułamka atomów ponownie rozpylonych określono stabilność krystalicznego i amorficznego Ni i Ti wykorzystując do tego celu metodę dynamiki molekularnej.

Słowa kluczowe

EN

NiTi; sputtering; re-sputtering; multi-scale modeling; thin film

• Wydawca: Wydawnictwa AGH
• Czasopismo: Computer Methods in Materials Science
• Rocznik: 2017
• Tom: Vol. 17, No. 3
• Strony: 153--165
• Opis fizyczny: Bibliogr. 34 poz., rys.

Twórcy

autor

Dey A.

• Tata steel, Jamshedpur-83I00I, India

autor

Aich S.

• Department of Metallurgical and Materials Engineering, Indian Institute of Technology, Kharagpur-721302, India

autor

Ghosh S.

• Tata steel, Jamshedpur-83I00I, India
• Department of Metallurgical and Materials Engineering, Indian Institute of Technology, Kharagpur-721302, India

autor

Mohapatra S. S.

• Department of Chemical Engineering, National Institute of Technology, Rourkela-769008, India

autor

Kumar A.

• Department of Chemical Engineering, National Institute of Technology, Rourkela-769008, India
• Department of Chemical Engineering, Indian institute of technology, Dhanbad-826004, India

autor

Behera A.

• Department of Metallurgical and Materials Engineering, National Institute of Technology, Rourkela-769008, India

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Uwagi

Opracowanie rekordu w ramach umowy 509/P-DUN/2018 ze środków MNiSW przeznaczonych na działalność upowszechniającą naukę (2018).