Fig. 3: Computed activation temperature (Ta) as a function of the Fermi level (EF).
From: Engineering the formation of spin-defects from first principles
The Fermi level is referred to the top of the valence band. We indicate the processes on the right hand side of the figure via colored arrows; they are summarized in Fig. 1 and in the text (Computational strategy); the notation V-V2/3 → VV refers to V-V2/3 → VV @ VSi (Fig. 1b), a path with lower barrier than V-V2/3 → VV @ VC. The lines indicate the temperature, as a function of EF, above which the process indicated on the right hand side is activated. Regions A, B, C and D where specific processes occur are described in the text. The vertical dashed lines indicate the EF at 1.46 eV and the conduction band minimum (CBM) of SiC polytypes. We computed the CBM of the various polytypes by aligning their respective valence band maximum; they are highlighted by black arrows; they are shown in increasing order of energy for 3C, 6H, and 4H of SiC. We extrapolated our results for EF higher than the CBM of 3C-SiC (shaded region), providing qualitative predictions.
