Effect of carbon on lattice parameters of the MgB2 thin films: A computational study

A. Saengdeejing, Y. Wang, Z. K. Liu

研究成果: Article査読

抄録

A model that predicts the lattice parameters in carbon-doped MgB 2 thin films produced by hybrid physical-chemical vapor deposition is proposed by considering the lattice and elastic mismatch between MgB 2 and the second phase that forms when carbon is added into the system. In this work, first-principles calculations are performed to obtain the coefficient of thermal expansion and elastic constants of Mg, MgB2 and MgB2C2 structures. Based on the difference between the coefficients of thermal expansion and elastic constants of MgB2, MgB2C2, and graphite, the lattice parameters of the MgB2 thin films are predicted by assuming the strains due to the different thermal expansions are compensated by lattice deformation proportional to their respective elastic compliant coefficients. The calculated results are in very good agreement with experimental data in the literature.

本文言語English
ページ(範囲)553-557
ページ数5
ジャーナルPhysica C: Superconductivity and its applications
471
19-20
DOI
出版ステータスPublished - 2011 10
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学
  • エネルギー工学および電力技術
  • 電子工学および電気工学

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