Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
Interaction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425–925 K has been carried out. The peculiarities of the c...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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IOP Publishing
2020-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/ab5e76 |
| _version_ | 1797747169637171200 |
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| author | V Plechystyy I Shtablavyi S Winczewski K Rybacki S Mudry J Rybicki |
| author_facet | V Plechystyy I Shtablavyi S Winczewski K Rybacki S Mudry J Rybicki |
| author_sort | V Plechystyy |
| collection | DOAJ |
| description | Interaction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425–925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary of two phases in the direction perpendicular to the crystalline surface were established. By means the formalism of quasi two dimensional partial pair correlation functions the atomic structure of the diffusion region was analyzed. The formation of the alloy of eutectic composition within the gold-silicon interlayer was established. It was shown that the inter-phase mixing in various temperature intervals occurred according to different diffusion mechanisms. |
| first_indexed | 2024-03-12T15:47:16Z |
| format | Article |
| id | doaj.art-b452499d07bd4521adc45f30dbf51205 |
| institution | Directory Open Access Journal |
| issn | 2053-1591 |
| language | English |
| last_indexed | 2024-03-12T15:47:16Z |
| publishDate | 2020-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | Materials Research Express |
| spelling | doaj.art-b452499d07bd4521adc45f30dbf512052023-08-09T15:22:06ZengIOP PublishingMaterials Research Express2053-15912020-01-017202655310.1088/2053-1591/ab5e76Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulationsV Plechystyy0I Shtablavyi1https://orcid.org/0000-0001-8027-9221S Winczewski2K Rybacki3S Mudry4J Rybicki5Faculty of Applied Physics and Mathematics, Gdansk University of Technology , Narutowicza 11/12, 80-233 Gdansk, Poland; Physics of Metals Department, Ivan Franko National University of Lviv, Kyrylo i Mephodiy 8, 79005 L’viv, UkrainePhysics of Metals Department, Ivan Franko National University of Lviv, Kyrylo i Mephodiy 8, 79005 L’viv, UkraineFaculty of Applied Physics and Mathematics, Gdansk University of Technology , Narutowicza 11/12, 80-233 Gdansk, PolandFaculty of Applied Physics and Mathematics, Gdansk University of Technology , Narutowicza 11/12, 80-233 Gdansk, PolandPhysics of Metals Department, Ivan Franko National University of Lviv, Kyrylo i Mephodiy 8, 79005 L’viv, UkraineFaculty of Applied Physics and Mathematics, Gdansk University of Technology , Narutowicza 11/12, 80-233 Gdansk, Poland; TASK Computer Centre, Gdansk University of Technology Narutowicza 11/12, 80-233 Gdansk, PolandInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425–925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary of two phases in the direction perpendicular to the crystalline surface were established. By means the formalism of quasi two dimensional partial pair correlation functions the atomic structure of the diffusion region was analyzed. The formation of the alloy of eutectic composition within the gold-silicon interlayer was established. It was shown that the inter-phase mixing in various temperature intervals occurred according to different diffusion mechanisms.https://doi.org/10.1088/2053-1591/ab5e76thin filmdiffusion processphase formationcontact meltingeutectic alloysshort range order |
| spellingShingle | V Plechystyy I Shtablavyi S Winczewski K Rybacki S Mudry J Rybicki Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations Materials Research Express thin film diffusion process phase formation contact melting eutectic alloys short range order |
| title | Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations |
| title_full | Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations |
| title_fullStr | Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations |
| title_full_unstemmed | Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations |
| title_short | Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations |
| title_sort | structure of the interlayer between au thin film and si substrate molecular dynamics simulations |
| topic | thin film diffusion process phase formation contact melting eutectic alloys short range order |
| url | https://doi.org/10.1088/2053-1591/ab5e76 |
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