1.5. J1-J2 Heisenberg model

Here, we solve the $J_1-J_2$ Heisenberg model on the square lattice, which is a canonical example of the frustrated magnets. Its Hamiltonian is defined as

(1.7)$$\mathcal{H}=J_1\sum _{⟨i,j⟩}{\mathbf{S}}_i\cdot {\mathbf{S}}_j+J_2\sum _{⟨⟨i,j⟩⟩}{\mathbf{S}}_i\cdot {\mathbf{S}}_j,$$

where $J_1$ ($J_2$) represents the nearest (next-nearest) neighbor interactions.

An input file (samples/tutorial_1.5/stan1.in) for treating $J_1-J_2$ Heisenberg model is given as

model = "Spin"
method = "CG"
lattice = "square"
L = 4
W = 4
J = 1
J' = 1
2S = 1
2Sz = 0
exct = 4

Here, J (J’) represents $J_1$ ($J_2$).

1.5.1. Calculations of spin structure factors for ground state

First, we calculate the spin structure factors, which are defined as

(1.8)$$S(\mathbf{q})=\frac{1}{N_{\mathrm{s}}}\sum _{i,j}{\mathbf{S}}_i\cdot {\mathbf{S}}_j$$

To calculate $S(\mathbf{q})$, it is necessary to prepare a proper input file for two-body Green functions. By using a python script MakeGreen.py (samples/tutorial_1.5/MakeGreen.py), you can generate greentwo.def for calculating $S(\mathbf{q})$. To use MakeGreen.py , an input file for specifying lattice geometry (input.txt, samples/tutorial_1.5/input.txt) is necessary, whose form is given as follows

Lx 4
Ly 4
Lz 1
orb_num 1

Here, Lx (orb_num) represents the length of the x direction (number of orbitals).

By using a python script CalcSq.py (samples/tutorial_1.5/CalcSq.py), you can calculate $S(\mathbf{q})$ from output/zvo_cisajscktalt_eigen0.dat.

Procedure for calculating and visualizing $S(\mathbf{q})$ is given as follows ::

1. HPhi -sdry stan.in

2. python3 MakeGreen.py (input.txt is necessary)

3. HPhi -e namelist.def

4. python3 CalcSq.py (input.txt is necessary)

5. You can obtain Sq_eigen0.dat !!

6. splot “Sq_eigen0.dat” u 1:2:3 (using gnuplot)

Following the procedure, please see how $S(\mathbf{q})$ changes by changing J’. As an example, we show $S(\mathbf{q})$ for J1/J2=0 and 1 below.

1.5.2. Calculations of spin structure factors for excited states

By changing exct in stan.in, you can obtain several excited states. For those excited states, by changing max_num=1 in CalcSq.py as, for example, max_num=4, you can obtain $S(\mathbf{q})$ for the excited states. As a practice for editing file, please try to edit CalcSq.py manually (open CalcSq.py, finding variable max_num =1, and changing max_num = 4).

Please see how $S(\mathbf{q})$ in the excited states changes by changing J’. For example, please check what is the nature of the first excited state J’=0,0.5, and 1.