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Author:

Zhuang Chun-Qiang (Zhuang Chun-Qiang.) (Scholars:庄春强) | Liu Lei (Liu Lei.)

Indexed by:

EI Scopus SCIE CSCD

Abstract:

While experimental evidence demonstrates that the presence of hydrogen (H) impurities in diamond films plays a significant role in determining their physical properties, the small radius of the H atom makes detecting such impurities quite a challenging task. In the present work, first-principles calculations were employed to provide an insight into the effects of the interstitial hydrogen on the electrical and mechanical properties of diamond crystals at the atomic level. The migrated pathways of the interstitial hydrogen are dictated by energetic considerations. Some new electronic states are formed near the Fermi level. The interstitial hydrogen markedly narrows the bandgap of the diamond and weakens the diamond crystal. The obvious decrement of the critical strain clearly implies the presence of an H-induced embrittlement effect.

Keyword:

impurity effect brittleness diamond crystal density functional theory

Author Community:

  • [ 1 ] [Zhuang Chun-Qiang]Beijing Univ Technol, Inst Microstruct & Properties Adv Mat, Beijing 100124, Peoples R China
  • [ 2 ] [Liu Lei]China Earthquake Adm, Inst Earthquake Sci, Beijing 100036, Peoples R China

Reprint Author's Address:

  • 庄春强

    [Zhuang Chun-Qiang]Beijing Univ Technol, Inst Microstruct & Properties Adv Mat, Beijing 100124, Peoples R China

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Source :

CHINESE PHYSICS B

ISSN: 1674-1056

Year: 2015

Issue: 1

Volume: 24

1 . 7 0 0

JCR@2022

ESI Discipline: PHYSICS;

ESI HC Threshold:190

JCR Journal Grade:2

CAS Journal Grade:3

Cited Count:

WoS CC Cited Count: 2

SCOPUS Cited Count: 1

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 3

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