The Peierls substitution method, named after the original work by Rudolf Peierls is a widely employed approximation for describing tightly-bound electrons in the presence of a slowly varying magnetic vector potential. Specifically, the Peierls substitution modifies the hopping integrals in a tight-binding Hamiltonian to account for the presence of a slowly-varying magnetic field by introducing phase factors.
Introduction The hopping integrals (or transfer integrals) describe the ability of an electron to hop between neighboring atoms. For a system described by a general Hamiltonian H {\displaystyle H} , the hopping integral between the states i , j {\displaystyle i,j} is given by
t i j = ⟨ i | H | j ⟩ , {\displaystyle t_{ij}=\langle i|H|j\rangle ,} Since the Hamiltonian is Hermitian, the hopping integrals satisfy
t i j = t j i ∗ . {\displaystyle t_{ij}=t_{ji}^{*}.} Thus, in the absence of a magnetic field, the hopping integrals can generally be chosen to be real, such that
t i j = t j i = t . {\displaystyle t_{ij}=t_{ji}=t.}
In the presence of a magnetic field, however, the hopping amplitude acquires a phase factor:
t i j → t i j e i θ i j . {\displaystyle t_{ij}\rightarrow t_{ij}e^{i\theta _{ij}}.}
Formulation In the presence of an external magnetic vector potential A {\displaystyle \mathbf {A} } , the translation operators T {\displaystyle \mathbf {T} } , which form the kinetic part of the Hamiltonian in the tight-binding framework, are simply
T x = | m + 1 , n ⟩ ⟨ m , n | e i θ m , n x , T y = | m , n + 1 ⟩ ⟨ m , n | e i θ m , n y , {\displaystyle \mathbf {T} _{x}=|m+1,n\rangle \langle m,n|e^{i\theta _{m,n}^{x}},\quad \mathbf {T} _{y}=|m,n+1\rangle \langle m,n|e^{i\theta _{m,n}^{y}},}
where | m , n ⟩ {\displaystyle |m,n\rangle } are quantum states, x , y {\displaystyle x,y} are directions of the magnetic field and e i θ m , n x , e i θ m , n y {\displaystyle e^{i\theta _{m,n}^{x}},e^{i\theta _{m,n}^{y}}} are the phases introduced to the states due the external magnetic field. In the second quantization formulation these translation operators are given with
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