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6CCVD Research

Effects of alloying elements on diamond/Cu interface properties based on first-principles calculations

At a Glance

Section titled ā€œAt a Glanceā€
MetadataDetails
Publication Date2022-12-20
JournalJournal of Physics Condensed Matter
AuthorsJinjiang Han, Xuefeng Yang, Ying Ren, Ying Li, Yue Li
InstitutionsHenan University of Technology
Citations14

Abstract

Section titled ā€œAbstractā€

Abstract Diamond/copper composites with high thermal conductivity and a variable thermal expansion coefficient are promising materials for thermal management applications. However, achieving the desired thermal conductivity of the composite material is difficult due to detachment or weak bonding between diamond and Cu. The interfacial properties of diamond/Cu composites can be improved using metal matrix alloying methods. In this study, we investigate the effects of alloying elements (B, Cr, Hf, Mo, Nb, Si, Ti, V, Zr) on the interfacial properties of diamond/Cu using first-principles calculations. Results showed that all alloying components could increase the interfacial bonding of diamond/Cu. Analysis of the electronic structure revealed that increased interfacial bonding strength after doping was the result of the stronger bonding of the alloying element atoms to the C atoms. The C atoms in the first layer of diamond at the interface formed wave peaks near the Fermi energy level after doping with B or Si atoms, facilitating electron-phonon interaction at the interface. The phonon properties of B 4 C and SiC were similar to those of diamond, which facilitated phonon-phonon coupling. B and Si were shown to be better alloying elements when interfacial bond strength and heat transfer were considered.

Tech Support

Section titled ā€œTech Supportā€

Original Source

Section titled ā€œOriginal Sourceā€

References

Section titled ā€œReferencesā€
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  3. 2020 - Research progress of diamond/Cu composites with high thermal conductivity [Crossref]
  4. 2012 - Fabrication and infiltration kinetics analysis of Ti-coated diamond/Cu composites with near-net-shape by pressureless infiltration [Crossref]
  5. 2015 - Effects of dual-layer coatings on microstructure and thermal conductivity of diamond/Cu composites prepared by vacuum hot pressing [Crossref]
  6. 2019 - Factors influencing thermal transport across graphene/metal interfaces with van der Waals interactions [Crossref]
  7. 2021 - Influence of sputtering and electroless plating of Cr/Cu dual-layer structure on thermal conductivity of diamond/Cu composites [Crossref]
  8. 2021 - Preparation of W-plated diamond and improvement of thermal conductivity of diamond-WC-Cu composite [Crossref]
  9. 2021 - Enhanced thermal conductivity of Cu/diamond composites by fine-regulating microstructure of interfacial tungsten buffer layer [Crossref]
  10. 2021 - Tailoring the thermal and mechanical properties of diamond/Cu composites by interface regulation of Cr alloying [Crossref]

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