Halfmetallic ferromagnetism in rare earth nitrides RENs (RE=Gd, Dy, and Ho): A first principles study

2014 ◽  
Vol 40 (1) ◽  
pp. 1993-2004 ◽  
Author(s):  
R. Rajeswarapalanichamy ◽  
A.T. Asvini Meenaatci ◽  
K. Iyakutti
Keyword(s):  
Rare Earth ◽  
First Principles ◽  
First Principles Study ◽  
Rare Earth Nitrides

scholarly journals First-Principles Study of CaB12H12 as a Potential Solid-State Conductor for Ca

2020 ◽  
Author(s):  
Julius Koettgen ◽  
Christopher Bartel ◽  
Jimmy-Xuan Shen ◽  
Kristin Persson ◽  
Gerbrand Ceder
Keyword(s):  
Rare Earth ◽  
Solid State ◽  
First Principles ◽  
Activation Barrier ◽  
Migration Path ◽  
First Principles Study ◽  
Trivalent Rare Earth

Calcium dodecahydro-closo-dodecaborate, CaB12H12, was calculated to have a percolating Ca migration path with low activation barrier (650 meV). The formation of Ca vacancies required for diffusion was calculated to be thermodynamically feasible by substitution of Ca with Al, Bi, or a number of trivalent rare-earth cations

A first-principles study of βF′ phase in magnesium-rare earth binary systems

2019 ◽  
Vol 170 ◽  
pp. 109126
Author(s):  
Y.X. Liu ◽  
H. Liu ◽  
Y.M. Zhu ◽  
N.C. Wilson ◽  
J.F. Nie
Keyword(s):  
Rare Earth ◽  
First Principles ◽  
Binary Systems ◽  
First Principles Study

Enhanced C atom adsorption on Cu(111) substrate by doping rare earth element Y for Cu–diamond composites: A first-principles study

2020 ◽  
Vol 831 ◽  
pp. 154747
Author(s):  
Xingzhi Pang ◽  
Jianbing Yang ◽  
Mingjun Pang ◽  
Yanjun Zhao ◽  
Wenchao Yang ◽  
...  
Keyword(s):  
Rare Earth ◽  
Rare Earth Element ◽  
First Principles ◽  
Earth Element ◽  
First Principles Study
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