Giant magnetocrystalline anisotropy of 5d transition metal-based phthalocyanine sheet

2015 ◽  
Vol 17 (26) ◽  
pp. 17182-17189 ◽  
Author(s):  
Jian Zhou ◽  
Qian Wang ◽  
Qiang Sun ◽  
Yoshiyuki Kawazoe ◽  
Puru Jena
Keyword(s):  
Transition Metal ◽  
Electric Field ◽  
Magnetocrystalline Anisotropy ◽  
Anisotropy Energy ◽  
Biaxial Strain ◽  
Magnetocrystalline Anisotropy Energy

Giant magnetocrystalline anisotropy energy can be achieved under electric field or biaxial strain of 5d transition metal-based phthalocyanine sheet.

scholarly journals Thermodynamics and Magnetism of YCo5 Compound Doped with Fe and Ni: An Ab Initio Study

2020 ◽  
Vol 10 (17) ◽  
pp. 6037
Author(s):  
Alexander Landa ◽  
Per Söderlind ◽  
Emily E. Moore ◽  
Aurelien Perron
Keyword(s):  
Curie Temperature ◽  
Permanent Magnet ◽  
Density Functional ◽  
Magnetocrystalline Anisotropy ◽  
Density Functional Theory Calculations ◽  
Anisotropy Energy ◽  
Functional Theory ◽  
Energy Product ◽  
Calphad Modeling ◽  
Magnetocrystalline Anisotropy Energy

YCo5 permanent magnet exhibits high uniaxial magnetocrystalline anisotropy energy and has a high Curie temperature. These are good properties for a permanent magnet, but YCo5 has a low energy product, which is notably insufficient for a permanent magnet. In order to improve the energy product in YCo5, we suggest replacing cobalt with iron, which has a much bigger magnetic moment. With a combination of density-functional-theory calculations and thermodynamic CALculation of PHAse Diagrams (CALPHAD) modeling, we show that a new magnet, YFe3(Ni1-xCox)2, is thermodynamically stable and exhibits an improved energy product without significant detrimental effects on the magnetocrystalline anisotropy energy or the Curie temperature.

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