Stability, electronic and magnetic properties investigations on Zr(2)YZ (Y = Co, Cr, V and Z = Al, Ga, In, Pb, Sn, Tl) compounds

作者: Xiao-Ping Wei , Ya-Ling Zhang , Ting Wang , Xiao-Wei Sun , Ting Song

DOI: 10.1016/J.MATERRESBULL.2016.10.013

关键词: Materials scienceValence electronFerrimagnetismSpintronicsStoner criterionMagnetic momentCurie temperatureElectronic structureCondensed matter physicsMagnetic structure

摘要: Using the full-potential local orbital minimum-basis method, we study the stability, electronic and magnetic properties on Heusler alloys Zr 2 YZ (Y= Co, Cr, V and Z= Al, Ga, In, Pb, Sn …

参考文章(27)
X.T. Wang, Y.T. Cui, X.F. Liu, G.D. Liu, Electronic structures and magnetism in the Li2AgSb-type Heusler alloys, Zr2CoZ (Z=Al, Ga, In, Si, Ge, Sn, Pb, Sb): A first-principles study Journal of Magnetism and Magnetic Materials. ,vol. 394, pp. 50- 59 ,(2015) , 10.1016/J.JMMM.2015.06.035
Zun-Yi Deng, Jian-Min Zhang, Half-metallic and magnetic properties of full-Heusler alloys Zr2CrZ (Z=Ga, In) with Hg2CuTi-type structure: A first-principles study Journal of Magnetism and Magnetic Materials. ,vol. 397, pp. 120- 124 ,(2016) , 10.1016/J.JMMM.2015.08.089
A. Birsan, Magnetism in the new full-Heusler compound, Zr2CoAl: A first-principles study Current Applied Physics. ,vol. 14, pp. 1434- 1436 ,(2014) , 10.1016/J.CAP.2014.08.009
Maria Pugaczowa-Michalska, Theoretical prediction of ferrimagnetism in Mn2FeB, Mn2CoB and Mn2NiB Intermetallics. ,vol. 24, pp. 128- 134 ,(2012) , 10.1016/J.INTERMET.2012.01.004
Klaus Koepernik, Helmut Eschrig, Full-potential nonorthogonal local-orbital minimum-basis band-structure scheme Physical Review B. ,vol. 59, pp. 1743- 1757 ,(1999) , 10.1103/PHYSREVB.59.1743
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
I. Opahle, K. Koepernik, H. Eschrig, Full-potential band-structure calculation of iron pyrite Physical Review B. ,vol. 60, pp. 14035- 14041 ,(1999) , 10.1103/PHYSREVB.60.14035
Tanja Graf, Claudia Felser, Stuart S.P. Parkin, Simple rules for the understanding of Heusler compounds Progress in Solid State Chemistry. ,vol. 39, pp. 1- 50 ,(2011) , 10.1016/J.PROGSOLIDSTCHEM.2011.02.001
R. A. de Groot, F. M. Mueller, P. G. van Engen, K. H. J. Buschow, New Class of Materials: Half-Metallic Ferromagnets Physical Review Letters. ,vol. 50, pp. 2024- 2027 ,(1983) , 10.1103/PHYSREVLETT.50.2024
Phivos Mavropoulos, Marjana Ležaić, Stefan Blügel, Half-metallic ferromagnets for magnetic tunnel junctions byab initiocalculations Physical Review B. ,vol. 72, pp. 174428- ,(2005) , 10.1103/PHYSREVB.72.174428