PhyslibAlpha.ProbabilisticTheory.LocalNet.Bloch
Bloch's theorem
A translation-invariant linear map on a unit-cell sector reduces to a map at each crystal momentum.
i. Overview
In a crystal the laws of motion are invariant under translations of the lattice. Bloch showed that the stationary states can then be labelled by a crystal momentum `k`, and that within one momentum the problem reduces to the finitely many degrees of freedom of a unit cell. Here is the statement in an algebraic form that needs no Hilbert space and no finiteness.
Let the lattice translations form an abelian group `Λ`, let `M` describe the degrees of freedom of one unit cell (orbitals, spin components), and suppose the translation-invariant part of the system is the configurations of unit cells over the lattice, `Λ →₀ M`, with translation acting by moving configurations. This is a `UnitCellStructure`. The crystal momentum `k` is a character `χ` of `Λ`, `χ n = exp (i k n)` for a chain, and the *Fourier transform* `ev χ` of a configuration `ψ` is `∑ m, χ m • ψ m`. Then:
* a linear map commuting with translations acts on Fourier evaluations through a map on the unit cell, its *Bloch map* `D(k)`: `ev χ (D ψ) = D(k) (ev χ ψ)`; * the Bloch matrix of a composite evolution is the product of the Bloch matrices; * for hopping dynamics with amplitudes `t n` to the cell displaced by `n`, the Bloch matrix is `H(k) = ∑ n, exp (i k n) t n`, the Fourier transform of the hopping amplitudes.
The unit-cell identification must be supplied for a translation-invariant sector of the represented net. The whole observable space need not have this form. A real sector can be complexified to use complex characters. A finite-dimensional cell makes the Bloch map a matrix; identifying it as a band Hamiltonian requires a Hamiltonian and its additional structure. No band energies or spectral decomposition are proved here.
ii. Key results
- `CovariantNetRepresentation.complexLinearAction` : translations on the complexified system.
- `blochMatrix` : the Bloch map of a translation-invariant linear map.
- `ev_symm_apply` : Bloch's theorem, the evolution in a momentum sector is `H(k)`.
- `blochMatrix_comp` : the Bloch map of a composite linear map is the product.
- `blochMatrix_hopping` : `H(k)` for hopping dynamics is the Fourier transform of the hoppings.
- `UnitCellStructure.complexify` : passing to complex momenta.
iii. Table of contents
- A. Complexification
- B. Unit-cell structure and Bloch matrices
- C. Hopping dynamics
- D. Complex characters
- E. Grouping sites into unit cells
iv. References
* F. Bloch, Über die Quantenmechanik der Elektronen in Kristallgittern, Z. Phys. 52 (1929). * N. Ashcroft & N. D. Mermin, Solid State Physics, Chapters 4 and 8.
A. Complexification
B. Unit-cell structure and Bloch matrices
C. Hopping dynamics
D. Complex characters
E. Grouping sites into unit cells
17 declarations
Complexified linear representation of the symmetry group
For a covariant representation of a group acting on a real vector space , the **complex linear action** is the group representation that maps each group element to the complex linear endomorphism obtained by the base change of the real linear action . Effectively, this extends the real-linear symmetry transformations of the system to the complexified space .
-Equivariance of the Complexified Channel
Let be a real state space (an order unit space) and be a covariant representation of a symmetry group on . Let be a channel. If commutes with the symmetry representation (i.e., for all and ), then the complexified linear map (obtained by the base change of to ) is equivariant with respect to the complexified linear action of on the complexified space . That is, for all :
Representation of a linear map on the lattice configuration space
Given a unit-cell structure on a vector space over a field that defines an isomorphism between the space of lattice configurations and , this function maps a linear operator to its representation on the configuration space . Here, denotes the space of finitely supported functions from the lattice to the unit-cell degrees of freedom . The resulting operator is defined by the conjugation .
The Unit-Cell Identification Map is Translation-Equivariant
Let be a vector space over a field representing a system with lattice translations given by an abelian group . Let be a unit-cell structure that identifies with the configuration space (finitely supported maps from the lattice to the unit-cell degrees of freedom ) via a linear isomorphism . For any lattice translation and any state , the inverse identification map commutes with the translation action: where is the translation action on and is the standard translation operator on the configuration space .
Translation-invariance of implies translation-equivariance of
Let be a vector space over a field with a translation action of an abelian group (lattice) . Let be a unit-cell structure that identifies with the configuration space (the space of finitely supported functions from the lattice to the unit-cell degrees of freedom ) via a linear isomorphism . If a linear operator is translation-invariant (i.e., it is equivariant with respect to the action ), then its representation on the configuration space, , is equivariant with respect to the standard translation action on .
Bloch matrix of at momentum
Let be a vector space over a field with a unit-cell structure that identifies with the space of lattice configurations , where is an abelian group of translations and represents the degrees of freedom within a unit cell. Given a linear operator and a crystal momentum (character) , the **Bloch matrix** of at is the linear map defined as the symbol of the conjugated operator at . For a translation-invariant operator, this matrix describes its action on the unit-cell degrees of freedom within the momentum sector .
Bloch's Theorem:
Let be a vector space over a field with a unit-cell structure that identifies with the space of lattice configurations via a linear isomorphism , where is an abelian group of translations and represents the degrees of freedom within a unit cell. Let be a linear operator that is translation-invariant (i.e., equivariant with respect to the lattice translation action on ). For any crystal momentum (character) and any vector , the Fourier evaluation (which maps a configuration to ) satisfies the relation: where is the Bloch matrix of at momentum . In other words, for a translation-invariant system, the Fourier evaluation intertwines the action of the operator with its corresponding Bloch matrix in the momentum sector.
Let be a vector space over a field equipped with a unit-cell structure that identifies with the space of lattice configurations , where is an abelian group of translations and represents the degrees of freedom within a unit cell. For any linear operators and any crystal momentum (additive character) , if is translation-invariant (equivariant with respect to the lattice translation action ), then the Bloch matrix of the composition at momentum is the composition of their individual Bloch matrices:
Hopping operator for amplitudes
Given a unit-cell structure that identifies a vector space with the space of lattice configurations via an isomorphism , this definition constructs a linear operator on for a given collection of hopping amplitudes . Here is a finitely supported map where represents the hopping amplitude to a unit cell displaced by the lattice vector . The resulting operator on is defined by transporting the translation-invariant hopping dynamics from the configuration space to using .
The Hopping Operator is Translation-Invariant
Let be a vector space over a field equipped with a unit-cell structure relative to a lattice and a unit-cell space . For any collection of finitely supported hopping amplitudes , the resulting hopping operator is equivariant with respect to the lattice translation action on .
The Bloch Matrix of a Hopping Operator is
Let be a vector space with a unit-cell structure over a lattice and a unit-cell space . For any finitely supported collection of hopping amplitudes and its associated hopping operator on , the Bloch matrix of at a crystal momentum (represented by the character ) is given by the Fourier transform of the hopping amplitudes: where is the hopping matrix to a cell displaced by the lattice vector .
Complexified action of on
Given a group (representing lattice translations) and a real vector space , let be a representation of on . The complexified action is the representation of on the complexified vector space where each element acts as the complexification (base change) of the linear map .
The complexification of an equivariant linear map is equivariant
Let be a real vector space and be a group with a representation . If is an -linear map that is equivariant with respect to (i.e., it commutes with the action of such that for all ), then its complexification is equivariant with respect to the complexified action of on the complexified vector space .
Complexification of a unit-cell structure from to
Given a unit-cell structure over the real numbers for a representation of a lattice group on a real vector space , the `complexify` function constructs a corresponding unit-cell structure over the complex numbers . This structure identifies the complexified vector space with the space of configurations , where represents the complexified degrees of freedom within a unit cell. This identification is equivariant with respect to the complexified translation action of on .
Lattice translation homomorphism into the cell-site space
Let be a group representing lattice translations and be a group representing internal site indices within a unit cell. The group homomorphism `cellTranslations` maps a translation element to the pair , where is the identity element of . This map formalizes the notion that a translation by a lattice vector shifts the unit cell position but leaves the internal site label within the cell unchanged.
Uncurrying Intertwines Lattice and Site Translations
Let be an abelian group representing lattice translations, be a set of internal site indices within a unit cell, and be a module representing the degrees of freedom at each site. Let be a configuration where each lattice point is mapped to a local configuration of sites . For any translation , let denote the translation operator acting on the lattice. The "uncurry" operation maps a pair to the value . The theorem states that uncurrying a translated configuration is equivalent to translating the uncurried configuration by the lattice vector : where the translation on the right-hand side is defined by the lattice translation homomorphism .
Regrouping internal sites into a unit-cell structure over
Given a unit-cell structure representing a system on a product lattice with local degrees of freedom (where represents the lattice translations and the internal site indices), this definition constructs a "regrouped" unit-cell structure over the lattice . In this new structure, the local degrees of freedom of a single unit cell are given by , the space of all configurations across the internal sites . The isomorphism for the regrouped structure maps a configuration to the state space by first uncurrying it to a configuration on the product space and then applying the isomorphism from the original structure . The translation action for an element in this new structure is defined by the original representation evaluated at the lattice translation .
