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    
Sasioglu, E., Sandratskii, L. M., Bruno, P.

Above-room-temperature ferromagnetism in half-metallic Heusler compounds NiCrP, NiCrSe, NiCrTe, and NiVAs: A first-principles study
Journal of Applied Physics 98, (6),pp 063523/1-6 (2005)
We study the interatomic exchange interactions and Curie temperatures in half-metallic semi-Heusler compounds NiCrZ (Z=p, Se, Te) and NiVAs. The study is performed within the framework of density functional theory. The calculation of exchange parameters is based on the frozen-magnon approach. It is shown that the exchange interactions in NiCrZ vary strongly depending on the Z constituent. The Curie temperature is calculated within mean field and random phase approximations. The difference between two estimated values is related to the properties of the exchange interactions. The predicted Curie temepratures of all four systems are considerably above room temperature. The relation between half-metallicity and the value of the Curie temperature is discussed. The combination of a high spin polarization of charge carriers and a high Curie temperature makes these Heusler alloys interesting candidates for spintronics applications.

TH-2005-32