Physlib

PhyslibAlpha.CondensedMatter.SpinLattice.PeriodicWaves

Two-component periodic lattice waves

A sector of a classical observable net has two modes per cell and an explicit Bloch dispersion.

i. Overview

Sites are pairs `(n, b)`, where `n` is an integer cell and `b` is one of two internal labels. Linear combinations of the local spin observables give a sector of the global classical net. Grouping by `n` and complexifying identifies it with finite amplitude profiles with two components per cell. Cell translations act through the net's translation action.

The wave operator is an on-site restoring term plus the discrete Laplacian acting separately on each component. Its Bloch eigenvalues are `mass b + stiffness * (2 - 2 cos k)`. They are squared frequencies when used in a second-order wave equation; no time evolution on the full observable net is asserted. The Bloch relation and the identification of the unit cell are instances of the general periodic-system framework.

ii. Key results

  • `unitCell`: the two-component sector as an instance of the general unit-cell structure.
  • `waveOperator_equivariant`: the wave operator commutes with cell translations.
  • `wave_bloch`: Fourier evaluation intertwines the operator with its Bloch map.
  • `bloch_eigenmode`: the two internal components are Bloch eigenmodes.
  • `band_momentum`: the explicit real dispersion at wavevector `k`.

iii. Table of contents

  • A. The observable sector and unit cell
  • B. The periodic wave operator
  • C. Bloch eigenmodes and dispersion

iv. References

* N. Ashcroft & N. D. Mermin, Solid State Physics, Chapters 4 and 8.

A. The observable sector and unit cell

B. The periodic wave operator

C. Bloch eigenmodes and dispersion

14 declarations

abbrev

Sites of a two-component periodic lattice Z×Z/2Z\mathbb{Z} \times \mathbb{Z}/2\mathbb{Z}

The set of sites in a two-component periodic lattice is defined as the Cartesian product Z×Z/2Z\mathbb{Z} \times \mathbb{Z}/2\mathbb{Z}. Each site is represented by a pair (n,b)(n, b), where n∈Zn \in \mathbb{Z} identifies the unit cell and b∈Z/2Zb \in \mathbb{Z}/2\mathbb{Z} (or {0,1}\{0, 1\}) distinguishes between the two internal degrees of freedom or basis sites within that cell.

abbrev

Unit cell amplitude space C2\mathbb{C}^2

The space of complex amplitudes within a single unit cell of the lattice, defined as the set of finitely supported functions from the internal labels Z/2Z\mathbb{Z}/2\mathbb{Z} to the complex numbers C\mathbb{C}. This represents the two degrees of freedom (modes) per cell in the periodic system.

abbrev

Complexified linear spin observable sector C⊗RSectorR\mathbb{C} \otimes_{\mathbb{R}} \text{Sector}_{\mathbb{R}}

The space Sector\text{Sector} is the complex vector space of linear spin observables on a two-component periodic lattice. It is defined as the complexification of the real spin sector, C⊗RV\mathbb{C} \otimes_{\mathbb{R}} \mathcal{V}, where V\mathcal{V} is the real vector space of linear observables on the lattice sites S=Z×Z/2ZS = \mathbb{Z} \times \mathbb{Z}/2\mathbb{Z}. This space represents the set of all complex linear combinations of local spin observables across the lattice.

definition

Cell translation action on the complexified observable sector Sector\text{Sector}

This definition provides the group homomorphism τ:Z→EndC(Sector)\tau : \mathbb{Z} \to \text{End}_{\mathbb{C}}(\text{Sector}) that describes how lattice translations act on the space of complexified linear spin observables Sector\text{Sector}. For a translation n∈Zn \in \mathbb{Z}, the linear operator τ(n)\tau(n) is obtained by complexifying the real action of site translations on the observable net, restricted to shifts of the unit cell index. Specifically, it represents the action induced by the spatial shift (m,b)↦(m+n,b)(m, b) \mapsto (m + n, b) on the lattice sites S=Z×Z/2ZS = \mathbb{Z} \times \mathbb{Z}/2\mathbb{Z}, where mm is the cell index and bb is the internal basis label.

definition

Unit-cell structure of the two-component periodic lattice system

The unit-cell structure for the two-component periodic lattice system. It provides an equivariant isomorphism between the complexified sector of linear spin observables (Sector\text{Sector}) and the space of finitely supported configurations ψ:Z→Cell\psi: \mathbb{Z} \to \text{Cell}, where Cell≅C2\text{Cell} \cong \mathbb{C}^2 represents the internal degrees of freedom at each lattice site. This structure is constructed by complexifying the real unit-cell structure on the lattice sites S=Z×Z/2ZS = \mathbb{Z} \times \mathbb{Z}/2\mathbb{Z} and then regrouping the internal labels b∈{0,1}b \in \{0, 1\} so that the global system is indexed by the cell index n∈Zn \in \mathbb{Z} with a two-dimensional local amplitude space.

definition

On-site mass operator on the unit cell

Given a function m:Z/2Z→Rm: \mathbb{Z}/2\mathbb{Z} \to \mathbb{R} representing the on-site masses (or squared frequencies) for the two internal modes, this definition is the linear operator Mcell:Cell→CellM_{\text{cell}}: \text{Cell} \to \text{Cell} on the unit cell amplitude space. For any amplitude vector ψ∈Cell≅C2\psi \in \text{Cell} \cong \mathbb{C}^2, the operator acts as (Mcellψ)(b)=m(b)ψ(b)(M_{\text{cell}} \psi)(b) = m(b) \psi(b) for each component b∈{0,1}b \in \{0, 1\}.

definition

Wave operator for a two-component periodic lattice system

Let ψ:Z→C2\psi: \mathbb{Z} \to \mathbb{C}^2 be a finitely supported configuration of complex amplitudes on a one-dimensional lattice, where each site n∈Zn \in \mathbb{Z} has two internal degrees of freedom. Given a mass function m:Z/2Z→Rm: \mathbb{Z}/2\mathbb{Z} \to \mathbb{R} for the internal modes and a stiffness constant κ∈R\kappa \in \mathbb{R}, the wave operator WW is a linear operator acting on the space of configurations. For any site nn, the operator is defined as: (Wψ)(n)=Mψ(n)+κ(2ψ(n)−ψ(n−1)−ψ(n+1))(W \psi)(n) = M \psi(n) + \kappa \left( 2 \psi(n) - \psi(n-1) - \psi(n+1) \right) where M=diag(m(0),m(1))M = \text{diag}(m(0), m(1)) is the diagonal on-site mass matrix. This operator represents the combination of on-site restoring forces and the discrete Laplacian acting on the lattice.

theorem

The wave operator is equivariant under cell translations

For any mass function m:Z/2Z→Rm: \mathbb{Z}/2\mathbb{Z} \to \mathbb{R} and stiffness constant κ∈R\kappa \in \mathbb{R}, the wave operator WW for the two-component periodic lattice system is equivariant with respect to the translation action on the lattice Z\mathbb{Z}. That is, for any lattice vector a∈Za \in \mathbb{Z} and any finitely supported configuration ψ:Z→C2\psi: \mathbb{Z} \to \mathbb{C}^2, the operator WW commutes with the translation operator TaT_a, such that W(Taψ)=Ta(Wψ)W(T_a \psi) = T_a (W \psi), where (Taψ)(n)=ψ(n−a)(T_a \psi)(n) = \psi(n - a).

definition

Wave operator on the observable sector Sector \text{Sector}

Given a mass function m:Z/2Z→R m: \mathbb{Z}/2\mathbb{Z} \to \mathbb{R} and a stiffness constant κ∈R \kappa \in \mathbb{R} , the sector wave operator is a linear operator on the space of complexified linear spin observables (Sector\text{Sector}). It is defined by transporting the periodic wave operator W W from the space of finitely supported lattice configurations (Z→0C2 \mathbb{Z} \to_0 \mathbb{C}^2 ) to the observable sector using the unit-cell isomorphism Φ \Phi . Specifically, the operator is given by the composition Φ∘W∘Φ−1 \Phi \circ W \circ \Phi^{-1} , where W W is the operator representing the on-site restoring forces and the discrete Laplacian.

theorem

Fourier Evaluation Intertwines the Wave Operator and its Bloch Matrix

Consider a two-component periodic lattice with a mass function m:Z/2Z→Rm: \mathbb{Z}/2\mathbb{Z} \to \mathbb{R} and a stiffness constant κ∈R\kappa \in \mathbb{R}. Let WW be the wave operator acting on the space of finitely supported configurations ψ:Z→C2\psi: \mathbb{Z} \to \mathbb{C}^2, and let Φ\Phi be the unit-cell isomorphism that identifies the complexified linear spin observable sector with these configurations. For any observable v∈Sectorv \in \text{Sector} and its corresponding configuration ψ=Φ−1(v)\psi = \Phi^{-1}(v), and for any additive character χ:Z→C\chi: \mathbb{Z} \to \mathbb{C} representing the crystal momentum, the Fourier evaluation evχ\text{ev}_\chi intertwines the wave operator with its Bloch matrix (symbol) W^(χ)\hat{W}(\chi): evχ(Wψ)=W^(χ)(evχψ) \text{ev}_\chi (W \psi) = \hat{W}(\chi) (\text{ev}_\chi \psi) where the Fourier evaluation is defined by the sum evχψ=∑n∈Zχ(n)ψ(n)\text{ev}_\chi \psi = \sum_{n \in \mathbb{Z}} \chi(n) \psi(n).

definition

Bloch eigenvalue m(b)+κ(2−χ(1)−χ(−1)) m(b) + \kappa(2 - \chi(1) - \chi(-1))

In a periodic lattice with two components per cell, given a mass function m:Z2→R m: \mathbb{Z}_2 \to \mathbb{R} representing on-site restoring terms, a stiffness coefficient κ∈R \kappa \in \mathbb{R} , an additive character χ:Z→C \chi: \mathbb{Z} \to \mathbb{C} representing the crystal momentum, and an internal component index b∈Z2 b \in \mathbb{Z}_2 , the Bloch eigenvalue is defined as: m(b)+κ(2−χ(1)−χ(−1)) m(b) + \kappa(2 - \chi(1) - \chi(-1)) This value is interpreted as the squared frequency ω2 \omega^2 for the wave dynamics of the component b b .

theorem

Internal components are eigenmodes of the Bloch matrix W^(χ)\hat{W}(\chi)

In a periodic lattice with two components per cell, let m:Z2→Rm: \mathbb{Z}_2 \to \mathbb{R} be the mass function and κ∈R\kappa \in \mathbb{R} be the stiffness coefficient. For any additive character χ:Z→C\chi: \mathbb{Z} \to \mathbb{C} and any internal label b∈Z2b \in \mathbb{Z}_2, the unit basis vector eb\mathbf{e}_b in the unit cell amplitude space is an eigenvector of the Bloch matrix (symbol) W^(χ)\hat{W}(\chi) of the wave operator. Specifically, W^(χ)eb=λb(χ)eb \hat{W}(\chi) \mathbf{e}_b = \lambda_b(\chi) \mathbf{e}_b where the eigenvalue λb(χ)\lambda_b(\chi) is given by the dispersion relation m(b)+κ(2−χ(1)−χ(−1))m(b) + \kappa(2 - \chi(1) - \chi(-1)).

definition

Momentum character for wavevector k k

The momentum character at a real wavevector k k is the additive character from the integers Z \mathbb{Z} to the complex numbers C \mathbb{C} defined by n↦eikn n \mapsto e^{ikn} for each lattice cell index n∈Z n \in \mathbb{Z} .

theorem

Dispersion relation for wavevector kk is m(b)+κ(2−2cos⁡k)m(b) + \kappa(2 - 2 \cos k)

In a periodic lattice with two components per cell, let m:Z2→Rm: \mathbb{Z}_2 \to \mathbb{R} be a mass function representing on-site restoring terms and κ∈R\kappa \in \mathbb{R} be a stiffness coefficient. For a real wavevector kk, the Bloch eigenvalue (representing the dispersion branch) for the internal component index b∈Z2b \in \mathbb{Z}_2 is given by: m(b)+κ(2−2cos⁡k) m(b) + \kappa(2 - 2 \cos k) This expression represents the squared frequency ω2\omega^2 for the wave dynamics at momentum kk.