SiCCSi antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching

U. Gerstmann , A. P. Seitsonen , D. Ceresoli , F. Mauri , H. J. Von Bardeleben (1) , J. L. Cantin , J. Garcia Lopez

1 INSP - Institut des Nanosciences de Paris

The nearest-neighbor antisite pair defects in 4H-SiC, 6H-SiC, and 3C-SiC single crystals have been identified using electron paramagnetic resonance spectroscopy in combination with a nonperturbative ab initio scheme for the electronic g tensor. Based on the theoretical predictions, the positively charged defect has been found experimentally also in the cubic 3C-SiC polytype where it is characterized by spin 1/2 and highly anisotropic g values of g(xx)=2.0030, g(yy)=2.0241, and g(zz)=2.0390 within C-1h symmetry. The exceptional large g values are explained by details of the spin-orbit coupling causing a strongly anisotropic quenching of the orbital angular momentum of the p-like unpaired electron.

Domaines: Matière Condensée [cond-mat]

U. Gerstmann, A. P. Seitsonen, D. Ceresoli, F. Mauri, H. J. Von Bardeleben, et al.. SiCCSi antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81 (19), pp.195208. ⟨10.1103/PhysRevB.81.195208⟩. ⟨hal-01237485⟩