Abstract
This study investigated the extended Holstein–Hubbard model at half-filling as a model for describing the interplay of electron–electron and electron–phonon couplings. When the electron–phonon and nearest-neighbor electron–electron interactions are strong, we prove the existence of long-range charge order in three or more dimensions at a sufficiently low temperature. As a result, we rigorously justify the phase competition between the antiferromagnetism and charge orders.
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Notes
Namely, he applied the spin reflection positivity to the Holstein–Hubbard and Su–Schrieffer–Heeger models and investigated their ground state properties.
To be precise, \(\mathfrak {H}_M\) is defined by
where \(N=N_{\uparrow }+N_{\downarrow }\) and \(S^3=\frac{1}{2}(N_{\uparrow }-N_{\downarrow })\) with \(N_{\sigma }=\sum _{x\in \Lambda } n_{x\sigma }\). The condition \(N\psi =|\Lambda |\psi \) indicates that we consider the case of half-filling.
Namely, \(\vartheta \) is a bijective antilinear map which satisfies \( \langle \vartheta \varphi |\vartheta \psi \rangle =(\langle \varphi |\psi \rangle )^* \) for all \(\varphi , \psi \in \mathfrak {X}_L.\)
In the Schrödinger representation, \(\Omega _{\mathrm {b}}^L=(\frac{1}{\pi })^{|\Lambda _L|/4} e^{-\sum _{x\in \Lambda _L}\phi _x^2/2} \). \(\Omega _{\mathrm {f}}^L\) is the standard Fock vacuum in \(\mathfrak {F}_L\). Note that \(\Omega _{\mathrm {b}}^L\) is a real-valued function on \(\mathcal {Q}_{\Lambda _L}\).
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Acknowledgments
This work was partially supported by Japan Society for the Promotion of Science (KAKENHI 20554421, KAKENHI 16H03942). I would be grateful to the anonymous referees for useful comments.
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Appendices
Appendix 1: Proof of (2.5)
We will show that \(\langle q_x\rangle _{\beta , \Lambda }=0\). The hole-particle transformation is a unitary operator u such that
We set \(\mathbb {H}=u H_{\Lambda } u^{-1}\). Since \(uq_xu^{-1}=s_x:=n_{x\uparrow }-n_{x\downarrow }\), we obtain \(\mathbb {H}=\mathbb {H}_0+\mathbb {W}\), where
Here, T and K are defined by (3.1) and (3.4), respectively. Thus, we have
where \(\langle \!\langle \cdot \rangle \!\rangle \) is the thermal expectation associated with \(\mathbb {H}\).
Let D be a unitary operator such that
Since \(D\mathbb {H} D^{-1}=\mathbb {H}\) and \(Ds_x D^{-1} =-s_x\), we have \(\langle q_x\rangle =\langle \!\langle s_x\rangle \!\rangle =0\). This concludes the proof of (2.5). \(\square \)
Appendix 2: The Dyson–Lieb–Simon Inequality
Let \(\mathfrak {X}_L\) and \(\mathfrak {X}_R\) be complex Hilbert spaces and let \(\vartheta \) be an antiunitary transformation from \(\mathfrak {X}_L\) onto \(\mathfrak {X}_R\). Let \(A, B, C_j, D_j, j=1,\dots , n\) be linear operators in \(\mathfrak {X}_L\). Suppose that A and B are self-adjoint and bounded from below and that \(C_j\) and \(D_j\) are bounded. We will study the following Hamiltonian:
\(H(A, B, \mathbf {C}, \mathbf {D})\) is a self-adjoint operator bounded from below acting in \(\mathfrak {X}_L\otimes \mathfrak {X}_R\).
Theorem 3.23
Assume that \(e^{-\beta A}\) and \(e^{-\beta B}\) are trace class operators for all \(\beta >0\) and that \(\lambda _j\ge 0\) for all \(j\in \{1, \dots , n\}\). Let \( Z_{\beta }(A, B, \mathbf {C}, \mathbf {D}) =\mathrm {Tr} \big [ e^{-\beta H(A, B, \mathbf {C}, \mathbf {D})} \big ],\ \beta >0 \). We then have
Remark 3.24
-
(i)
In [4], all matrix elements of \(A, B, C_j, D_j\) are assumed to be real. However, as noted in [22, 25], this assumption is unnecessary. This point is essential for the present paper.
-
(ii)
Suppose that \(\dim \mathfrak {X}_L<\infty \). Therefore, we set \(\mathfrak {X}_L=\mathfrak {X}_R=\mathbb {C}^n\). Let \(\vartheta \) be the standard conjugation: \(\vartheta \psi =\{\overline{\psi _j}\}_{j=1}^n\) for each \( \psi \in \mathfrak {X}_L\). Hence, \(\vartheta B\vartheta ^{-1}\) represents the complex conjugation of the matrix elements of B. Now assume the following: (a) \(C_j=D_j\) for all j; (b) \(C_j\) is self-adjoint for all j (\(C_j^*=C_j\)); (c) \(C_j\) is real for all j (\(\vartheta C_j \vartheta ^{-1}=C_j\)). In this case, we obtain a finite temperature version of [22, Lemma 14]. \(\diamondsuit \)
Proof
While this theorem is proven in [25], we present the proof here for reader’ convenience. It suffices to show the assertion when \(\dim \mathfrak {X}_L<\infty \).
The following property is fundamental:
Especially, we have \( \mathrm {Tr}_{\mathfrak {X}_L\otimes \mathfrak {X}_R}\Big [ A\otimes \vartheta A\vartheta ^{-1} \Big ]= \big |\mathrm {Tr}_{\mathfrak {X}_L}[A]\big |^2\ge 0 \). The reason for this is as follows. Since \( \mathrm {Tr}_{\mathfrak {X}_L\otimes \mathfrak {X}_R}\Big [ A\otimes \vartheta B\vartheta ^{-1} \Big ]= \mathrm {Tr}_{\mathfrak {X}_L}[A] \mathrm {Tr}_{\mathfrak {X}_R}[\vartheta B \vartheta ^{-1}] \), it suffices to show that \( \mathrm {Tr}_{\mathfrak {X}_R}[\vartheta B \vartheta ^{-1}] =(\mathrm {Tr}_{\mathfrak {X}_L}[ B ])^* \). Let \(\{e_n\}_{n=1}^{\infty }\) be a complete orthonormal system (CONS) of \(\mathfrak {X}_R\). Remarking that \(\{\vartheta ^{-1} e_n\}_{n=1}^{\infty }\) is a CONS of \(\mathfrak {X}_L\) and since \(\langle \vartheta ^{-1} \phi |\vartheta ^{-1} \psi \rangle =\langle \psi |\phi \rangle \), we see that
As a first step, we will prove the assertion by assuming that \(C_j\) and \(D_j\) are self-adjoint. For simplicity, assume that \(\lambda _j=1/2\). By the Duhamel formula,
where \(\int _{S_N(\beta )}=\int _0^{\beta }\mathrm {d}t_1\int _0^{\beta -t_1}\mathrm {d}t_2\ldots \int _0^{\beta -\sum _{j=1}^{N-1}t_j} \mathrm {d}t_N \). Observe that
where \(\mathbf {k}_{(N)}=(k_1,\dots , k_N)\in \mathbb {N}^N,\) \(\mathbf {t}_{(N)}=(t_1, \dots , t_N)\in \mathbb {R}^N_+\) and
with \(\mathbf {Y}=\{Y_j\}_j\). By this fact and (4.11), we observe that
Let us introduce an inner product by
In terms of this inner product, we have
where
By the Schwartz inequality, we have
where \(\Vert W \Vert ^2_{N, \beta }:=\langle W| W \rangle _{N, \beta }\). Finally, we remark that
Combining (4.20) and (4.21), we obtain the assertion for the case where \(C_j\) and \(D_j\) are self-adjoint.
We note that for general \(C_j\) and \(D_j\), these operators can be written as
where \(\mathfrak {R}C_j, \mathfrak {R}D_j, \mathfrak {I}C_j\) and \(\mathfrak {I}D_j\) are self-adjoint. Since
we can reduce the problem to the case where \(C_j\) and \(D_j\) are self-adjoint. \(\square \)
Appendix 3: A Useful Lemma
Lemma 3.25
Let B and C be self-adjoint operators. Suppose that \(e^{-C}\) is a trace class operator and suppose that B is bounded. We have
where \( \langle X \rangle =\mathrm {Tr}\big [ X e^{-(B+C)} \big ]\Big /\mathrm {Tr}\big [ e^{-(B+C)} \big ]\).
Proof
Let X and Y be self-adjoint. We know that \(F(\lambda )=\ln \mathrm {Tr}[e^{\lambda X+(1-\lambda ) Y}]\) is convex, e.g., as in [32]. Thus, we have \(F(1) \ge F'(0)+F(0)\), which implies
where \(\langle L \rangle _Y=\mathrm {Tr}[L\, e^Y]\big /\mathrm {Tr}[e^Y]\). Substituting \(X=-C\) and \(Y=-B-C\), we obtain the desired result. \(\square \)
Appendix 4: Proof of Proposition 3.10
Let
Let \(\mathfrak {S}_n\) be the permutation group on set \(\{1, \dots , n\}\). Let \((X_1, \dots , X_n),\, (Y_1, \dots , Y_n)\in \mathscr {S}_n^{(0)}\). If there exists a \(\pi \in \mathfrak {S}_n\) such that \((X_{\pi (1)}, \dots , X_{\pi (n)})=(Y_1, \dots , Y_n)\), then we write \( (X_1, \dots , X_n) \sim (Y_1, \dots , Y_n) \). The binary relation “\(\sim \)” on \(\mathscr {S}_n^{(0)}\) is an equivalence relation. We denote the quotient set \(\mathscr {S}_n^{(0)} \backslash \sim \) by \(\mathscr {S}_n\) and for the simplicity of notation, we still denote the equivalence class \([(X_1, \dots , X_n)]\) by \((X_1, \dots , X_n)\).
Set \(\displaystyle \mathscr {S}=\bigcup _{n=0}^{2|\Lambda |} \mathscr {S}_n \), where \(\mathscr {S}_{n=0}=\{\emptyset \}\). Let
Here, if \(n=0\), then we understand that \((X_1, \dots , X_n)=\emptyset \). For each \(X=(x, \sigma )\in \Lambda \times \{\uparrow , \downarrow \}\), we set \(c_X:=c_{x\sigma }\) and \(a_X:=a_{x\sigma }\). For each \(\mathbf {X}=(X_1, \dots , X_n)\in \mathscr {S}\), we define
and \(e(\emptyset )=\Omega _{\mathrm {f}}\), \(f(\emptyset )=\Omega _{\mathrm {f}}\). The definition (4.29) is independent of the choice of the representative up to the sign factor, and trivially, \(\{e(\mathbf {X})\, |\, \mathbf {X}\in \mathscr {S}_R\}\) is a CONS of \(\mathfrak {F}_R\). We note that \(\{a_X\, |X\in \Lambda \times \{\uparrow , \downarrow \}\}\) satisfies the CARs:
Moreover, it holds that \(a_X\Omega _{\mathrm {f}}=0\) for all \(X\in \Lambda \times \{\uparrow , \downarrow \}\). Thus, \(\{f(\mathbf {X})\, |\, \mathbf {X}\in \mathscr {S}_L\}\) is a CONS of \(\mathfrak {F}_L\).
For each \(X=(x, \sigma )\in \Lambda _R\times \{\uparrow , \downarrow \}\), we set \(r(X):=(r(x), \sigma )\in \Lambda _L\times \{\uparrow , \downarrow \}\), where r in the right-hand side is defined by (3.42). For each \(\mathbf {X}=(X_1, \dots , X_n)\in \mathscr {S}_R\), we further extend the map r as follows:
Thus, \(\{f(r(\mathbf {X}))\, |\, \mathbf {X}\in \mathscr {S}_R\}\) is a CONS of \(\mathfrak {F}_L\). For each \(\Psi \in \mathfrak {F}_L\), we have the following expression:
Using the expression (4.32), we define an antilinear map \(\xi \) from \(\mathfrak {F}_L\) onto \(\mathfrak {F}_R\) by
and \(\xi \Omega _{\mathrm {f}}^L=\Omega _{\mathrm {f}}^R\). \(\xi ^{-1}\) is given by
for each \(\Phi =\sum _{X\in \mathscr {S}_R} \Phi (\mathbf {X}) e(\mathbf {X})\in \mathfrak {F}_R\). It is not difficult to check that \( \langle \xi \Psi _1|\xi \Psi _2\rangle =\overline{\langle \Psi _1|\Psi _2\rangle } \) for all \(\Psi _1, \Psi _2\in \mathfrak {F}_L\). Hence, \(\xi \) is an antiunitary transformation.
Lemma 3.26
For all \(X\in \Lambda _R\times \{\uparrow , \downarrow \}\), it holds that \(\xi a_{r(X)}\xi ^{-1}=c_X\).
Proof
For each \(\Phi =\sum _{\mathbf {Y}\in \mathscr {S}_R} \Phi (\mathbf {Y})e(\mathbf {Y})\in \mathfrak {F}_R\), we have, by (4.33) and (4.34),
Hence, \(\xi a_{r(X)}^* \xi ^{-1}=c_X^*\). \(\square \)
Recall that \(\mathfrak {H}_L=\mathfrak {F}_L\otimes L^2(\mathcal {Q}_L, d\mu _{\Lambda _L})\). We use the following identification:
Thus, each vector \(\Psi \in \mathfrak {H}_L\) is a \(\mathfrak {F}_L\)-valued measurable map on \(\mathcal {Q}_L\), i.e., \({\varvec{\phi }}\mapsto \Psi ({\varvec{\phi }})\). Now, we define an antiunitary transformation \(\vartheta \) from \(\mathfrak {H}_L\) onto \(\mathfrak {H}_R\) by
where, for each \({\varvec{\phi }}=\{\phi _x\}_{x\in \Lambda _R} \in \mathcal {Q}_R\), we define \(r^{-1}({\varvec{\phi }})\in \mathcal {Q}_L\) by \( \big (r^{-1}({\varvec{\phi }})\big )_x =\phi _{r^{-1}(x)},\, x\in \Lambda _L \).
Remark 3.27
For each measurable function \(F({\varvec{\phi }})\ ({\varvec{\phi }}\in \mathcal {Q}_L)\) on \(\mathcal {Q}_L\), \(F(r^{-1}({\varvec{\phi }}))\ ({\varvec{\phi }}\in \mathcal {Q}_R)\) can be regarded as a function on \(\mathcal {Q}_R\). Let \(\Psi \in \mathfrak {H}_L\). By (4.32), we have the following expression:
where \(\Psi _{r(\mathbf {X})}({\varvec{\phi }})=\langle f(r(\mathbf {X}))|\Psi ({\varvec{\phi }})\rangle \). Using this, we have
Proposition 3.28
\(\vartheta \) satisfies all properties in (3.43) and (3.44).
Proof
By Lemma 3.26, it is easy to check that \(\vartheta a_{r(X)}\vartheta ^{-1}=c_X\).
Note that the action of the multiplication operator \(\phi _x\) is as follows: For each \(\Psi \in \mathfrak {H}_L\) and \(x\in \Lambda _L\),
Thus, we have, for each \(\Psi \in \mathfrak {H}_L\) and \(x\in \Lambda _R\),
which implies \(\vartheta \phi _{r(x)} \vartheta ^{-1}=\phi _x\).
Next, we will prove that \(\vartheta \pi _{r(x)} \vartheta ^{-1}=-\pi _x\). Since \(\pi _x=-i \frac{\partial }{\partial \phi _x}\), we have, for each \(\Psi \in \mathfrak {H}_L\) and \(x\in \Lambda _L\),
Hence, we have, for each \(\Psi \in \mathfrak {H}_L\) and \(x\in \Lambda _L\),
for a.e. \({\varvec{\phi }}\in \mathcal {Q}_R\). Here, we used the fact that \(\xi \) is antilinear. Thus, we conclude that \(\vartheta \pi _{x} \vartheta ^{-1}=-\pi _{r^{-1}(x)}\) for each \(x\in \Lambda _L\), which implies \(\vartheta \pi _{r(x)} \vartheta ^{-1}=-\pi _{x}\) for each \(x\in \Lambda _R\). \(\square \)
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Miyao, T. Long-Range Charge Order in the Extended Holstein–Hubbard Model. J Stat Phys 165, 225–245 (2016). https://doi.org/10.1007/s10955-016-1617-6
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DOI: https://doi.org/10.1007/s10955-016-1617-6