Point Defects in L1<sub>0</sub> Phase FePt Alloy: A First Principle Study

The preference site and magnetic property of doped Cr atom in L10 FePt alloy are investigated by the first-principles calculations. Due to the energy of Cr located in Fe and Pt sublattice are -0.15 and 0.48 eV, respectively, the Cr atom occupying Fe site is more energetic favorable than in Pt site in L10 FePt alloy. The calculated saturation magnetizations for Cr additive replacing Fe or Pt atom in L10 FePt are 959 or 989 emu/cm3, respectively. The results are lower than that of L10 FePt (1085emu/cm3). The additive of Cr in L10 FePt will reduce the saturation magnetization.

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Bonding character and formation energy of point defects of he and vacancy on (001) surface of bcc iron by first principle calculations

Acta Metallurgica Sinica (English Letters) ◽

10.1007/s40195-011-0504-z ◽

2013 ◽

Vol 26 (1) ◽

pp. 25-32 ◽

Cited By ~ 2

Author(s):

Jun Cai ◽

Daogang Lu

Keyword(s):

Point Defects ◽

Formation Energy ◽

First Principle ◽

First Principle Calculations ◽

Bcc Iron

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Point defects engineering in graphene/h-BN bilayer: A first principle study

Applied Surface Science ◽

10.1016/j.apsusc.2014.09.097 ◽

2014 ◽

Vol 320 ◽

pp. 502-508 ◽

Cited By ~ 9

Author(s):

Jianmei Yuan ◽

Zhe Wei ◽

Jianxin Zhong ◽

Yanping Huang ◽

Yuliang Mao

Keyword(s):

Point Defects ◽

First Principle

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Point Defects in L10 Phase FePt Alloy: A First Principle Study

Materials Science Forum ◽

10.4028/www.scientific.net/msf.561-565.1923 ◽

2007 ◽

Vol 561-565 ◽

pp. 1923-1926 ◽

Cited By ~ 2

Author(s):

Yang Sui ◽

Zi Yu Chen ◽

Xiao Lin Shu ◽

Tian Min Wang

Keyword(s):

Point Defects ◽

Density Functional ◽

Formation Energy ◽

Signal To Noise Ratio ◽

Magnetic Recording Media ◽

Fept Alloy ◽

Rich Alloy ◽

Deformation Force ◽

High Density Magnetic Recording ◽

Structural Point

L10 phase FePt alloy is regarded as one of the most promising materials for ultra high density magnetic recording media. However, structural point defects, which would reduce the media's signal to noise ratio, are inevitable in non-stoichiometric L10 FePt alloy. Hence, possible types of point defect (vacancy and anti-site defect) in non-stoichiometric ordered FePt alloy were fully studied using density functional theory. Investigation over vacancy shows the formation energy of Fe and Pt vacancy is respectively 2.58eV and 3.20eV. Geometry relaxation implies Fe vacancy has a stronger deformation force upon the original lattice. Meanwhile, anti-site defect study shows that the formation energy of Fe anti-site (Fe occupation in Pt sublattice) and Pt anti-site (Pt occupation in Fe sublattice) is respectively 1.05eV and 0.66eV. Therefore, for Fe-rich and Pt-rich alloy, the preferred structural point defects are both anti-site substitution rather than vacancy due to the much lower formation energy.

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