Table 2 Co 3d-orbital populations and the number of valence electrons of oxygen obtained from the multipole parameters
From: Real-space measurement of orbital electron populations for Li1-xCoO2
SOC | Co \({P}_{3d}\) | Co \({t}_{2g}\) | Co \({e}_{g}\) | O \({P}_{{valence}}\) |
|---|---|---|---|---|
LiCoO2 | 6.50(22) | 4.83(10) | 1.67(12) | 6.75(11) |
Li0.6CoO2 | 6.44(27) | 4.19(14) | 2.25(13) | 6.58(13) |
Li0.4CoO2 | 6.66(33) | 4.26(12) | 2.40(45) | 6.37(16) |
Li0.3CoO2 | 7.24(29) | 2.81(12) | 4.43(41) | 6.03(14) |
