ham_zf

Electronic zero-field interaction Hamiltonian.

Syntax

F = ham_zf(Sys)
F = ham_zf(Sys,eSpins)
F = ham_zf(Sys,eSpins,'sparse')

Description

This function computes the Hamiltonian of all electronic zero-field interactions (ZFIs) in the spin system described by the structure Sys.

If the vector eSpins is given, the ZFI of only the specified electron spins is returned (1 is the first electron spin, 2 the second, etc). Otherwise, all electrons are included.

If 'sparse' is given as third argument, the Hamiltonian matrix is returned in sparse format instead of full format.

Examples

The zero-field term [eqn] of a simple spin system

Sys = struct('S',1,'g',2,'D',[1680 110]);

in GHz is

ham_zf(Sys)/1e3

ans =
    0.5600         0    0.1100
         0   -1.1200         0
    0.1100         0    0.5600

The same result is obtained by using 3 values instead of 2 in the D field.

D = 1680; E = 110;
Dvalues = [-1,-1,+2]/3*D + [+1,-1,0]*E;
Sys = struct('S',1,'g',2,'D',Dvalues);