Theory Department
Max Planck Institute of Microstructure Physics
1997    
1998    
1999    
2000    
2001    
2002    
2003    
2004    
2005    
2006    
2007    
2008    
2009    
2010    
2011    
2012    
2013    
2014    
2015    
2016    
2017    
2018    
2019    
2020    
2021    
Özdogan, K., Galanakis, I., Sasioglu, E., Aktas, B.

Search for half-metallic ferrimagnetism in V-based Heusler alloys Mn2VZ (Z=Al,Ga,In,Si,Ge,Sn)
Journal of Physics: Condensed Matter 18, (10),pp 2905-2914 (2006)
Using a state-of-the-art full-potential electronic structure method within the local spin density approximation, we study the electronic and magnetic structure of Mn2V-based full Heusler alloys: Mn2VZ (Z=Al,Ga,In,Si,Ge and Sn. We show that small expansion of the calculated theoretical equilibrium lattice constants restores the half-metallic ferrimagnetism in these compounds. Moreover, a small degree of disorder between the V and Z atoms, although it induces some states within the gap, preserves the Slater-Pauling behavior of the spin magnetic moments and the alloys keep a high degree of spin polarization at the Fermi level, opening the way for a half-metallic compensated ferrimagnet.

TH-2006-10