Magnetization and magnetic anisotropy of metallophthalocyanine molecules from the first principles calculations

2009 ◽  
Vol 94 (12) ◽  
pp. 122502 ◽  
Author(s):  
Junhua Wang ◽  
Yisheng Shi ◽  
Juexian Cao ◽  
Ruqian Wu
Keyword(s):  
Magnetic Anisotropy ◽  
First Principles ◽  
First Principles Calculations

Interaction of Magnetic Impurities with Surfaces

1997 ◽  
Vol 475 ◽  
Author(s):  
L. Szunyogh ◽  
B.L. Györffy
Keyword(s):  
Thin Films ◽  
Fermi Surface ◽  
Magnetic Anisotropy ◽  
First Principles ◽  
Anisotropy Constant ◽  
Thickness Dependence ◽  
Magnetic Impurities ◽  
First Principles Calculations ◽  
Spin Polarized ◽  
Fe Impurity

ABSTRACTThe interaction of a magnetic (Fe) impurity with the surface of a non-magnetic (Au) semi-infinite host is investigated in terms of fully relativistic spin-polarized first principles calculations. It is shown that the surface induces a magnetic anisotropy on the impurity which is considerably larger than in the bulk. It is also found that the anisotropy constant K(d) is an oscillating function of the distance d between the impurity and the surface with an amplitude which falls as 1/d2 and a period which is determined by the shape of the Fermi Surface of the bulk Au host. However, the question still remains open whether the magnitude of the anisotropy energy is sufficiently large to explain the thickness dependence of the Kondo amplitude B in thin films of dilute FecAu1-c alloys.

scholarly journals Strain effects on the magnetic anisotropy of Y2Fe14B examined by first-principles calculations

2014 ◽  
Vol 104 (24) ◽  
pp. 242403 ◽  
Author(s):  
Zahra Torbatian ◽  
Taisuke Ozaki ◽  
Shinji Tsuneyuki ◽  
Yoshihiro Gohda
Keyword(s):  
Magnetic Anisotropy ◽  
First Principles ◽  
First Principles Calculations ◽  
Strain Effects
Sign in / Sign up

Export Citation Format

Share Document