First-principles calculations of the twin boundary energies and adhesion energies of interfaces for cubic face-centered transition-metal nitrides and carbides

Tengfei Li, Tianmo Liu, Hongmei Wei, Shahid Hussain, Jinxing Wang, Wen Zeng, Xianghe Peng, Zhongchang Wang

    Research output: Contribution to journalArticlepeer-review

    17 Citations (Scopus)

    Abstract

    The twin boundary energies of TiN, ZrN, HfN, TiC, ZrC, HfC, VC, NbC and TaC and the adhesion energies of twin interfaces and interfaces of TiN/ZrN, VC/TiC and TiN/TiC were calculated using first-principles methods. A new route in the preparation of mechanically superhard films has been proposed by introducing twin into the multilayer of transition-metal nitrides and carbides.

    Original languageEnglish
    Pages (from-to)1132-1135
    Number of pages4
    JournalApplied Surface Science
    Volume355
    DOIs
    Publication statusPublished - 2015 Nov 15

    Keywords

    • First-principle calculation
    • Hardness
    • Interface structure
    • Multilayer thin films
    • Twinning

    ASJC Scopus subject areas

    • Surfaces, Coatings and Films

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