Ordered lattice necessary for band structure?

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Discussion Overview

The discussion centers around the existence and characteristics of band structures in disordered or amorphous materials, contrasting them with ordered lattices. Participants explore theoretical frameworks and models applicable to these materials, including the implications of disorder on electronic states.

Discussion Character

  • Debate/contested
  • Technical explanation
  • Conceptual clarification

Main Points Raised

  • Some participants propose that amorphous materials can have band structures, citing examples like liquid metals and amorphous silicon.
  • Others argue that while amorphous materials possess band structures, these structures are not well-defined or sharp, unlike those in crystalline materials.
  • A participant questions the applicability of traditional models like the Kronig-Penney model and Bloch wavefunctions to disordered systems, seeking references for deriving band structures in such contexts.
  • It is suggested that the band structure of amorphous materials may be isotropic and depend on radial wave vectors rather than traditional k-vectors.
  • One participant asserts that strictly speaking, non-periodic materials do not have a band structure in the conventional sense, as electronic states cannot be classified by k-vectors due to the lack of lattice translation symmetry.

Areas of Agreement / Disagreement

Participants express differing views on whether amorphous materials can be said to have a band structure, with some asserting they do while others maintain that true band structures require periodicity. The discussion remains unresolved regarding the definitions and implications of band structures in disordered systems.

Contextual Notes

There are limitations in the discussion related to the definitions of band structures, the assumptions about the applicability of certain models to disordered systems, and the implications of isotropy in band structures.

Hyo X
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Is it possible for a disordered or amorphous structure to have band structure?

I understand derivation of bands from Kronig-Penney model.

E.g. does amorphous silicon have a band structure?
While amorphous silicon oxide does not have a band structure?
 
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Amorphous materials do have band structures (another example: liquid metals). It's necessary to have bands in order to accommodate the electrons of the material (they can't all occupy states of the same energy, due to the exclusion principle). However, the electronic states can't be described using Brillouin zone concepts.
 
Can anyone point me to a reference to derive band structure based on disordered/amorphous solids?

All the approaches I have seen - Kronig Penney model, Bloch wavefunctions, Wannier functions, seem to all require periodic lattices...

How can you predict the band structure for a disordered solid? Does it just have a uniform band structure with radial k_r rather than k_x?
is the tight-binding model relevant?
 
Amorphous materials have a band structure, but it is not a nice, clean band structure with sharp energies. Rather, it results from the fact that locally the amorphous material has more or less the same first-neighbor bonds as the crystalline material, the second neighbors are somewhat similar, and the mess starts from there on.

Amorphous materials are isotropic, so the band structure should also be isotropic, i.e. only depend on k_r as you point out.
 
Strictly speaking, non-periodic materials do not have a band structure. Having a band structure means that electronic states can be classified according to k-vectors. k-vectors are the labels of the irreducible representations of the lattice translation group. While in an amorphous system of course you can still define k-vectors, if the Hamiltonian H does not commute with lattice translations T, in general H and T cannot be diagonalized by a common set of eigenvectors (with T's eigenvectors being labelled by k and H's by E(k)).
 

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