First principles calculations of magnetic anisotropy energy of Co monatomic wires

2003 ◽  
Vol 67 (2) ◽  
Author(s):  
Jisang Hong ◽  
R. Q. Wu
Keyword(s):  
Magnetic Anisotropy ◽  
First Principles ◽  
Anisotropy Energy ◽  
First Principles Calculations ◽  
Magnetic Anisotropy Energy

Ab initio calculations of magnetic anisotropy of Co and Fe films on Cu and Pt surfaces

2020 ◽  
Vol 25 (4) ◽  
pp. 22-27
Author(s):  
Marina V. Mamonova ◽  
Irina A. Prudnikova
Keyword(s):  
Magnetic Anisotropy ◽  
First Principles ◽  
Software Package ◽  
Magnetic Characteristics ◽  
First Principles Calculations ◽  
Monolayer Films ◽  
Magnetic Anisotropy Energy ◽  
Plane Anisotropy ◽  
Out Of Plane ◽  
The Difference

In this work, the results of numerical first-principles calculations of the magnetic characteristics for Co and Fe monolayer films on Cu(100) and Pt(100) slabs by using the VASP software package are presented. The values of the difference in the total energy of antiferromagnetic and ferromagnetic configurations depending on the parameters of convergence and thickness of non-magnetic material are calculated. Favorable magnetic anisotropy energy and values of the magnetic moment of atoms in the Co/Cu/Co, Co/Pt/Co, and Pt/Co/Cu/Co/Pt structures are determined. The phenomenon of reorientation in the Co/Cu(100)/Co structure, when the in-plane anisotropy of the cobalt films changes to an out-of-plane anisotropy due to the incorporation of an ultrathin platinum film into the structure is confirmed.

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