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I will not bother to write down the tensor product in the joint basis of A and B here in this post, where A and B are atoms/electrons and m denotes a unit cell.

The Hamiltonian for this model is given by:

$H = v \sum_{m=1}^{N} \left( |m,B\rangle \langle m,A| + \text{h.c.} \right) + w \sum_{m=1}^{N-1}\left( |m+1,B\rangle \langle m,A| + \text{h.c.} \right)$

The matrix is given by:

\begin{bmatrix} 0 & v & 0 & 0 & 0 & 0 & 0 & 0\\ v & 0 & w & 0 & 0 & 0 & 0 & 0\\ 0 & w & 0 & v & 0 & 0 & 0 & 0\\ 0 & 0 & v & 0 & w & 0 & 0 & 0\\ 0 & 0 & 0 & w & 0 & v & 0 & 0\\ 0 & 0 & 0 & 0 & v & 0 & w & 0\\ 0 & 0 & 0 & 0 & 0 & w & 0 & 0\\ 0 & 0 & 0 & 0 & 0 & 0 & v & 0\\ \end{bmatrix}

I think the sum in the Hamiltonian is being done over the unit cells which are denoted by m and A,B are the atoms/electrons respectively. I assume no spin or Couloumb interaction. I tried to write the Hamiltonian with the completeness relation on either side to figure out the matrix like this:

IHI, where I is the completeness relation written using the basis $|m, A\rangle|m, B\rangle$

However I think I did it wrong as when I supplied the completeness relation, I ended up with kronecker delta's in A,A' and B,B' with a leftover basis in the ket, but I do not know how to proceed or what to do next. My QM knowledge is at the level of Griffiths/Zettili. I can't seem to derive the matrix representation of this Hamiltonian for N=4.

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  • $\begingroup$ Hint: $|m,B\rangle=|m\rangle\otimes|B\rangle$. $\endgroup$ Commented Jan 24 at 9:00

1 Answer 1

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$A$ and $B$ aren't atoms and electrons. The Su-Schrieffer-Heeger chain is a bipartite chain of atoms of the form

$$A\overset{v}{-}B\overset{w}=A-B=A-B=A-B=A-B$$

The standard unit cell of the chain is one $[A-B]$ unit. The amplitude for hopping between $A$ and $B$ sites within a given unit cell is $v$, and the amplitude for hopping between $A$ and $B$ sites on adjacent unit cells is $w$.

The real-space basis is given by $|m,\sigma\rangle$ where $m\in\{1,2,3,4\}$ and $\sigma\in\{A,B\}$. The matrix elements in the $8\times 8$ matrix are

$$\pmatrix{\langle 1,A|H|1,A\rangle & \langle1,A|H|1,B\rangle & \cdots & \langle 1,A|H|4,B\rangle \\ \langle 1,B|H|1,A\rangle & \langle 1,B|H|1,B\rangle & \cdots & \langle 1 ,B|H|4,B\rangle \\ \langle 2,A|H|1,A\rangle & \langle 2,A|H|1,B\rangle & \cdots & \langle 2,A|H|4,B\rangle \\ \vdots & \vdots & \ddots & \vdots \\ \langle 4,A|H|1,A\rangle & \langle 4,A|H|1,B\rangle & \cdots & \langle 4 ,A|H|4,B\rangle\\ \langle 4,B|H|1,A\rangle & \langle 4,B|H|1,B\rangle & \cdots & \langle 4 ,B|H|4,B\rangle}$$

Computing several of them by hand should be sufficient to give you a sense of the pattern.

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  • $\begingroup$ Oh I see yes thank you! However, do you have any advice on how I could have come up with this myself? $\endgroup$
    – Despaxir
    Commented Jan 24 at 12:33
  • $\begingroup$ @Despaxir If you mean the matrix, then I simply wrote down the definition of the matrix elements. The only possible ambiguity is the ordering (i.e. which basis vector corresponds to which entry in the column vector) but that's fundamentally unimportant. If you're following a particular resource, you can compare with what they have and shuffle rows and columns as needed if you wish. $\endgroup$
    – J. Murray
    Commented Jan 24 at 13:59

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