“…According to the Tanabe-Sugano diagram, for d 2 ions in cubic octahedra, the energy level of 3 T 1g is lower than that of 1 T 2g . The small trigonal distortion (e.g., in Al 2 O 3 :V 3+ ) cannot change the scheme and so all of the components of 3 T 1g due to the splittings by trigonal field are still lower than those of the components of 1 T 2g [11][12][13][14][15][16][17][18][19][20]. However, for V 3+ at S 6 site of Y 2 O 3, from our calculations the large trigonal distortion results in the component (t 2g ) 2 1 T 2g 1 E g of 1 T 2g is even lower than some components of 3 T 1g (see Table 1).…”