An ab initio study of the magnetocrystalline anisotropy and magnetoelastic coupling of half-metallic CrO2

Y. K. Wang, G. Y. Guo*, Horng Tay Jeng

*此作品的通信作者

研究成果: 雜誌貢獻會議論文同行評審

4 引文 斯高帕斯(Scopus)

摘要

First-principles density functional calculations of the total energy, magnetic moments and magnetocrystalline anisotropy energy (MAE) of CrO 2 as a function of both volume and uniaxial strain along the c-axis have been performed. The highly accurate all-electron full-potential linearized augmented plane wave method and the generalized gradient approximation to the exchange-correlation potential are used. The calculated structural properties (lattice constants and unit cell volume) are in excellent agreement with experiments (with 0.5%). The calculated bulk and Young's modulii are 2.56 and 2.02Mbar, respectively. The calculated MAE increases almost linearly with the uniaxial strain and remains positive in the strain range of -4-4%. Thus, the calculations predict that the easy magnetization axis is along the c-axis, in agreement with experiments. However, the calculated anisotropy constant is about six times larger than the measured value. The calculated magnetoelastic coupling constant is 1.2×107erg/cm3 and the magnetostriction coefficient λ001 is -2.59×10 -5.

原文英語
頁(從 - 到)139-142
頁數4
期刊Journal of Magnetism and Magnetic Materials
282
發行號1-3
DOIs
出版狀態已發佈 - 2004 11月
對外發佈
事件International Symposium on Advanced Magnetic Technologies - Taipei, 臺灣
持續時間: 2003 11月 132003 11月 16

ASJC Scopus subject areas

  • 電子、光磁材料
  • 凝聚態物理學

指紋

深入研究「An ab initio study of the magnetocrystalline anisotropy and magnetoelastic coupling of half-metallic CrO2」主題。共同形成了獨特的指紋。

引用此