Question 4.67: Magnetic frustration. Consider three spin-1/2 particles arra...

Magnetic frustration. Consider three spin-1/2 particles arranged on the corners of a triangle and interacting via the Hamiltonian

H=J\left( S _{1} \cdot S _{2}+ S _{2} \cdot S _{3}+ S _{3} \cdot S _{1}\right)       (4.227).

where J is a positive constant. This interaction favors opposite alignment of neighboring spins (antiferromagnetism, if they are magnetic dipoles), but the triangular arrangement means that this condition cannot be satisfied simultaneously for all three pairs (Figure 4.18). This is known as geometrical “frustration.”

a) Show that the Hamiltonian can be written in terms of the square of the total spin, S^{2}, \text { where } S =\sum_{i} S _{i} .

(b) Determine the ground state energy, and its degeneracy.

(c) Now consider four spin-1/2 particles arranged on the corners of a square, and interacting with their nearest neighbors:

H=J\left( S _{1} \cdot S _{2}+ S _{2} \cdot S _{3}+ S _{3} \cdot S _{4}+ S _{4} \cdot S _{1}\right)                 (4.228).

In this case there is a unique ground state. Show that the Hamiltonian in this case can be written

H=\frac{1}{2} J\left[S^{2}-\left( S _{1}+ S _{3}\right)^{2}-\left( S _{2}+ S _{4}\right)^{2}\right]           (4.229).

What is the ground state energy?

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(a)

S = S _{1}+ S _{2}+ S _{3} \Rightarrow S^{2}=S_{1}^{2}+S_{2}^{2}+S_{3}^{2}+2 S _{1} \cdot S _{2}+2 S _{1} \cdot S _{3}+2 S _{2} \cdot S _{3}, \text { so } H=\frac{1}{2} J\left(S^{2}-S_{1}^{2}-S_{2}^{2}-S_{3}^{2}\right) .

But S_{i}^{2}=\hbar^{2} s(s+1)=\frac{3}{4} \hbar^{2} (because they all have spin 1/2), so H=\frac{1}{2} J\left(S^{2}-\frac{9}{4} \hbar^{2}\right) .

(b) S^{2}=s(s+1) \hbar^{2} , where s is the total spin. Combine two spin 1/2 states and you get spin 1 or spin 0 ; add spin 1/2 to spin 1 and you get 1+\frac{1}{2}=\frac{3}{2} \text { or } 1-\frac{1}{2}=\frac{1}{2} ; add \frac{1}{2} to 0 and you get \frac{1}{2} . So the total spin is 3/2 (four states) or 1/2 (two states)|and the latter occurs in two different ways. There are 2² = 8 states in all (each of the three could be spin up or spin down), 4 of which carry spin 1/2 (the ground state). The degeneracy of the ground state is 4, and its energy is \frac{1}{2} J\left(\frac{1}{2}\left(\frac{3}{2}\right) \hbar^{2}-\frac{9}{4} \hbar^{2}\right)=-\frac{3}{4} \hbar^{2} J .

(c)  S^{2}=S_{1}^{2}+S_{2}^{2}+S_{3}^{2}+S_{4}^{2}+2 S _{1} \cdot S _{2}+

2 S _{1} \cdot S _{3}+2 S _{1} \cdot S _{4}+2 S _{2} \cdot S _{3}+2 S _{2} \cdot S _{4}+2 S _{3} \cdot S _{4} .

S^2 -(S_1+S_3)^2 -(S_2+S_4)^2 = \cancel{S^2_1} + \cancel{S^2_2} + \cancel{S^2_3}+ \cancel{S^2_4} + 2S_1.S_2 + \cancel{2S_1.S_3} + 2S_1.S_4+ 2S_2.S_3 + \cancel{2S_2.S_4}+

2S_3.S_4-  \cancel{S^2_1} – \cancel{S^2_3} – \cancel{2S_1.S_3}-  \cancel{S^2_2} -\cancel{S^2_4} – \cancel{2S_2.S_4} = 2(S_1.S_2 +S_1 .S_4 +S_2.S_3 + S_3.S_4 ) = 2H/J .

so H = \frac{1}{2} J [S^2 -(S_1+S_3)^2 – (S_2+S_4)^4] . QED.

Write H=\frac{1}{2} \hbar^{2} J\left[s(s+1)-s_{13}\left(s_{13}+1\right)-s_{24}\left(s_{24}+1\right)\right] , where s is the total spin, s_{13} is the spin of the 1,3 combination, and s_{24} that of the 2,4 combination. For the ground state we want s as small as possible, and s_{13}, s_{24} as large as possible: s=0, s_{13}=s_{24}=1 (the triplet combinations). Then E=\frac{1}{2} \hbar^{2} J(0-2-2)= -2 \hbar^{2} J.

[Are we sure we can construct such a state? From 1 and 3 we can make singlet or  triplet combinations; likewise 2 and 4 \frac{1}{2} \otimes \frac{1}{2}=1,0 . If both are in the triplet state we can get a total spin of 2, 1, or 0 : 1 \otimes 1=2,1,0 .

So yes: here is the total spin 0 with each pair having total spin 1. By the way, the other possibilities are 1 \otimes 0=1,0 \otimes 1=1, \text { and } 0 \otimes 0=0 . Thus the total spin could be

s = 2                         (2s + 1) = 5 states,

s = 1                          (three ways) 3 × 3 = 9 states,

s = 0                         (two ways) 2 × 1 = 2 states,

a total of 5 + 9 + 2 = 16 states, which is just right: 2^4 = 16. But the ground state is unique-there’s exactly one combination that puts 1,3 and 2,4 in the triplet configuration and gets a total spin of 0.]

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