Büyütülen c-BN Filminin Uyumluluğunu Etkileyen Parametrelerin İncelenmesi: Moleküler Dinamik Simülasyonu

Abstract

Nanofilm, nanotüp, nanotel ve nanoküp gibi nanoyapıların geleceğin teknolojilerinin temel yapı taşları olması bekleniyor. Literatürde yer alan araştırmalar, özellikle elektronik ve mekanik alanlarında moleküler ölçekli uygulamaların ilk kez "parça" seviyesinden "devre elemanı" seviyesine ilerlediğini göstermektedir. Çok sayıda çalışma karbon bazlı yapılara odaklanmıştır. Bununla birlikte, karbona kıyasla benzer veya hatta üstün özellikler sergileyebilecek bor bazlı nanoyapılar üzerine yapılan araştırmalar yakın zamanda başlamış olup yetersiz kalmaktadır. Bu çalışmada, üretim yöntemlerindeki farklılıkların ve yöntem parametrelerindeki varyasyonların sanal ürünün özellikleri üzerindeki etkileri incelenmiştir. Sonuçların değerlendirilmesi, eklenen atomların alt tabakaya yerleştirilmesinin uyumluluğuna ve süreçlerin incelenen tüm sistem üzerindeki etkilerine dayanmaktadır. Sonuçlar, eklenen atom sayısının, eklenen türlerin atom ve/veya molekül olarak eklenmesinin ve sistemin tavlanmasının, büyütülen filmin temel malzemeye uygunluğu üzerinde önemli etkileri olduğunu göstermektedir.

Keywords

• Tavlama
• bor nitrür ince film büyümesi
• molekül veya atom olarak eklenen türlerin etkisi
• eklenen atom sayısının etkisi
• moleküler dinamik simülasyonu

Project Number

106M479

Investigation of the Parameters Affecting the Compatibility of the Grown c-BN Film: Molecular Dynamics Simulation

Abstract

Nanostructures such as nanofilms, nanotubes, nanowires, and nanocubes are expected to become the fundamental building blocks of future technologies. Research reported in the literature indicates that molecular-scale applications, particularly in electronics and mechanics, have progressed for the first time from the “part” level to the “circuit element” level. Numerous studies have focused on carbon-based structures. However, research on boron-based nanostructures, which may exhibit properties comparable to or even superior to those of carbon, has only recently begun and remains insufficient. In this study, the effects of differences in production methods and variations in method parameters on the properties of the virtual product are examined. The evaluation of the results is based on the compatibility of the placement of the added atoms on the substrate and the effects of the processes on the entire system under investigation. The results indicate that the number of added atoms, whether the added species are introduced as atoms and/or molecules, and the annealing of the system have significant effects on the conformity of the grown film to the base material.

Keywords

• Molecular dynamics simulation
• boronnitride thin film growth
• effects of the number of add atoms
• effect of add atoms as molecules or atoms
• annealing

Supporting Institution

TUBITAK

Project Number

106M479

Thanks

Thanks to TUBITAK for the support through the Project No: 106M479

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