Title :
Effect of doping on B2-phase ordering temperature of Co-based heusler alloy: An AB initio stud
Author :
Xu, X. ; Zhao, B. ; Wu, Y. ; Jiang, Y.
Author_Institution :
Sch. of Mater. Sci. & Eng., Univ. of Sci. & Technol. Beijing, Beijing, China
Abstract :
Co2FeAl0.5Si0.5 (CFAS) [1, 2], a full Heusler alloy with theoretical 100% spin polarization, has attracted great attention for its wide study in magnetic tunneling junctions and spin valves. Recently studies [1, 2, 3] have proved that B2 and L21-phase ensure the half-metallic property, while a range of 400~600 °C annealing temperature is needed to obtain the ordered phases. High annealing temperature is no doubt unfavorable for both magnetic properties and applications. Therefore, a low temperature ordering method is needed to decrease the ordering temperature from disordered A2-phase to ordered B2 or L21 phases on the way to large scale industrial process. In this paper, we offer a proposal to decrease the annealing temperature of CFAS from A2 to B2 phase by Pt doping based on the first-principles calculations using VASP.
Keywords :
ab initio calculations; aluminium alloys; annealing; cobalt alloys; doping; iron alloys; order-disorder transformations; silicon alloys; A2 phase; B2-phase ordering temperature; Co2FeAl0.5Si0.5:Pt; L21 phase; VASP; ab initio calculations; annealing temperature; doping effect; first-principles calculations; full Heusler alloy; low temperature ordering method; spin polarization; Annealing; Doping; Iron; Magnetic properties; Silicon; Temperature;
Conference_Titel :
Magnetics Conference (INTERMAG), 2015 IEEE
Conference_Location :
Beijing
Print_ISBN :
978-1-4799-7321-7
DOI :
10.1109/INTMAG.2015.7156786
