
Part 1 (Introduction. Crystal Field splitting of the d-type Atomic Orbitals. Taylor's notation)
The two energy parameters form the energy plane:

Symmetric Energy Plane: ![]()
The lines where two energy levels are equal divide the plane into the six sectors. If the scaled parameter V* is used, then the angles between all the adjacent lines are 60 degrees.
The "atomic" orbital energy levels are the planes in
the
-space:

The above intersecting planes form the three energy surfaces, so that
![]()
![]() |
![]() |
![]() |
|
E 10 |
E 20 |
E 30 |

| Animation: |
The spin-orbit interaction splits the above piecewise-plane energy surfaces into the three separate surfaces:
![]() |
![]() |
![]() |
|
E 1 |
E 2 |
E 3 |
Note that the E1 and E2 surfaces still touch each other at the point (0, 0) - the pure octahedral case.
All other quantities also form surfaces above the energy plane. In particular, there are three g-value surfaces (gx, gy, gz) for each energy level. For level 3 the g-surfaces are
![]() |
![]() |
![]() |
| gz | gy | gx |
The upper cube facets are at g = 4 and the lower ones at g = -4. The three surfaces are actually the same surface rotated by 120°. The gz-surface is symmetrical with respect to the plane V = 0. The gy and gx surfaces are symmetrical with respect to the appropriate planes as well.
For better understanding of the three dimensional surfaces download the program gSurface . It displays g, E0 and E .The surfaces can be rotated and viewed from different directions.
Part 3 (Discussion)
Part 4 (Calculations. Programs. References)
Part 5 (Experimental data processing)
|
|
Please e-mail me at nikolai@shokhirev.com |
©Nikolai Shokhirev, 2002-2003.