admiture of two spin states

[sapphire]

Hello, I would like to ask how to describe the spin system in ZFS when there exists the admixture of two spin states. Thanks.

[Stefan Stoll]

This is come out automatically from your spin system if you set up the Hamiltonian and diagonalize it.

[sapphire]

Thank you Stefan. Could you tell me how to diagonalize it? By the way, how can i get the matrix of spin Hamiltonian? Thank you again.

[Stefan Stoll]

To set up the spin Hamiltonian matrix, use sham(). To diagonalize it, use eig().

[sapphire]

Thank you, it worked very well. I would like to know if it is possible to get the spin Hamiltonian matrix (or energy of different energy levels) denoted by the zero field splitting parameters( D, a, F...) when applied with a magnetic field along a specific direction.

[sapphire]

Add:

Hi Stefan, do you remember i asked help from you about the right picture in attachment? You said it seems ok for you. But compared with Figure 2 in this paper

https://journals.aps.org/pr/pdf/10.1103/PhysRev.148.211

It seems in my plot , states|-5/2> and |3/2> have a mixture. But in this paper, it's |-5/2> and |1/2> have a mixture. My codes are as below,

mySystem=struct('S',5/2,'g',2.0029);
mySystem.D=5146.5;
mySystem.aF=[709.6 -112.1];
B=[0 1000];
Ori=[0 0];
Freq=12;
levelsplot(mySystem, Ori,B,Freq)


could you please tell me where's the problem comes from? Thank you.

Regards,

[Stefan Stoll]

Notice that in the paper the a term is in a coordinate system different from the D term, the F term,and the Zeeman term. This frame has axes (xi,eta,zeta), with the z axis along the [111] direction in that frame.

To activate this in EasySpin, use Sys.aFFrame=3, as shown in the documentation here.