Band gap of 3d transition metal oxides

 

Oxides

Xystal color

band gap (eV)

Oxides

Xystal color

band gap (eV)

Oxides

Xystal color

band gap (eV)

 

2+

3+

4+

3d0

Sc2O3

white

6

TiO2

white

3.2

3d1

 

Ti2O3

violet

4.08

VO2

blue-black

0.7

3d2

TiO

dark

0

V2O3

black

0.2

 CrO2

black

0

3d3

VO

black, grey, or green

0

Cr2O3

green

3

MnO2

gray to black

3.4

3d4

 

 

 

3d5

MnO

green

3.6-4.3

Fe2O3

red-brown

Xystal 2.0/film 2.7

 

3d6

FeO

black

 

 

3d7

CoO

grey or olive green

2.4

 

 

3d8

NiO

green

3.0-4.3 [Sawatzky1984, Huefner1985]

 

As we can see that the color does not correlate with band gap, except for the case that the material is always black when the gap is lower than 1.8 eV. This is because the optical gap we normally refer is actually charge transfer gap which bare huge absorption strength which color properties can be determined by the excitation that has much less absorption strength, e.g. on-site forbidden excitation. See this post.

[Sawatzky1984] G. A. Sawatzky and J. W. Allen, Phys. Rev. Lett. 53, 2339 {1984).

[Huefner1985] S. Huefner, Solid State Commun. 53, 707 (1985).