First-principles determinations of magneto-crystalline anisotropy and magnetostriction in bulk and thin-film transition metals

1998 ◽  
Vol 177-181 ◽  
pp. 1216-1219 ◽  
Author(s):  
R.Q. Wu ◽  
L.J. Chen ◽  
A. Shick ◽  
A.J. Freeman
Keyword(s):  
Thin Film ◽  
Transition Metals ◽  
First Principles ◽  
Crystalline Anisotropy ◽  
Magneto Crystalline Anisotropy

Interface effects on the magnetic properties of layered Ni2MnGa/Ni2MnSn alloys: A first-principles investigation

2016 ◽  
Vol 09 (06) ◽  
pp. 1642010 ◽  
Author(s):  
Biswanath Dutta ◽  
Ingo Opahle ◽  
Tilmann Hickel
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Density Functional ◽  
Functional Theory ◽  
Multilayer Systems ◽  
Crystalline Anisotropy ◽  
Additive Contribution ◽  
Spin Moments ◽  
Magneto Crystalline Anisotropy ◽  
Interface Effects

The effect of interfaces on the magnetic properties of multilayers is analyzed for Ni2MnGa/Ni2MnSn system using density functional theory. The Ni spin moments at the interface change by about 30% compared to the bulk value, whereas the effect on the Mn spin moments is much less pronounced. A similar strong effect is also observed for the Ni orbital moments at the interface. The magneto-crystalline anisotropy of the multilayer systems can be understood by the additive contribution of the respective values of strained bulk materials.

Effect of 3d-transition metals doped in ZnO monolayers on the CO2 electrochemical reduction to valuable products: first principles study

2021 ◽  
Vol 550 ◽  
pp. 149380
Author(s):  
Pornsawan Sikam ◽  
Kaito Takahashi ◽  
Thantip Roongcharoen ◽  
Thanadol Jitwatanasirikul ◽  
Chirawat Chitpakdee ◽  
...  
Keyword(s):  
Transition Metals ◽  
Electrochemical Reduction ◽  
First Principles ◽  
First Principles Study

Semiconducting antiferromagnetism in MgH 2 doped with 3 d transition metals: A first-principles view

2017 ◽  
Vol 441 ◽  
pp. 799-805 ◽  
Author(s):  
Yi-Lin Lu ◽  
Shengjie Dong ◽  
Wei Zhou ◽  
Yanyu Liu ◽  
Hui Zhao ◽  
...  
Keyword(s):  
Transition Metals ◽  
First Principles

scholarly journals First-principles study of ferromagnetic coupling in Zn1−xCrxTe thin film

2005 ◽  
Vol 97 (4) ◽  
pp. 043904 ◽  
Author(s):  
Q. Wang ◽  
Q. Sun ◽  
P. Jena ◽  
Y. Kawazoe
Keyword(s):  
Thin Film ◽  
First Principles ◽  
Ferromagnetic Coupling ◽  
First Principles Study
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