Xingtao Jia et al 2008 J. Phys. D: Appl. Phys. 41 085004 doi:10.1088/0022-3727/41/8/085004
Xingtao Jia1, Wei Yang2, Minghui Qin3 and Lei Wang2
Show affiliationsWe study the electronic structure and magnetic properties of equilibrated and distorted Co2MnSi1−xAlx using density-functional theory calculations. We find that equilibrated Co2MnSi shows true half-metallicity while Co2MnAl shows traditional ferromagnetism. The tensile stress deteriorates the half-metallicity of Co2MnSi, while it induces a transition from traditional ferromagnetism to true half-metallicity for Co2MnAl. The intermediate Co2MnSi1−xAlx alloys show compromise properties between pure Co2MnSi and Co2MnAl. Detailed studies show that the stretch stress enhances the splitting of the t2g orbital while it has little influence on the eg orbital for all Co2MnSi1−xAlx alloys. Finally, we deduced that graded heterostructural Co2MnSi1−xAlx alloys with Co2MnAl side epitaxial growth on silicon would keep high temperature half-metallicity throughout the heterostructure to the interface, and this may be a scheme to fulfil efficient spin injection into silicon.
71.20.Lp Intermetallic compounds
75.30.Kz Magnetic phase boundaries (including magnetic transitions, metamagnetism, etc.)
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Issue 8 (21 April 2008)
Received 21 January 2008, in final form 19 February 2008
Published 20 March 2008
Xingtao Jia et al 2008 J. Phys. D: Appl. Phys. 41 085004
S Solve et al 2009 Metrologia 46 01010
J Chen and S J Bull 2008 J. Phys. D: Appl. Phys. 41 074009
Chaoliang Ding et al 2009 New J. Phys. 11 083001
Hajjawi S and Buitrago J 2007 J. Phys.: Conf. Ser. 66 012017
Mark I Stockman 2008 New J. Phys. 10 025031
Frederik Denef and Michael R. Douglas JHEP03(2005)061
C H Lee and K Jiang 2008 J. Micromech. Microeng. 18 055032
Jonathan J. Heckman and Cumrun Vafa JHEP04(2008)052
A Jacob et al 2008 New J. Phys. 10 045022