Lattice dynamics with second‐neighbor interactions. III. Green's matrix
- 1 February 1977
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 11 (2) , 189-211
- https://doi.org/10.1002/qua.560110202
Abstract
The theory of pth‐order singular differential equations is adaptable to the study of the system of recurrence relations occurring in the problem of a one‐dimensional chain with pth‐neighbor interactions. By using Green's formula, a mapping is defined between the space Vn of eigenvectors to the dynamical matrix and the symplectic space V2p of boundary conditions for the recurrence equations. The properties of the resolvent are obtained from an analysis of the solutions of a system of inhomogeneous equations and Green's matrix is constructed for the case of standard Sturm–Liouvilletype boundary conditions. The Weyl surface is discussed and its properties used for the construction of square summable sequences which in turn can be employed in expansion formulas. The generalization of Weyl's m‐function in the second‐order case (p = 1) becomes for p ≥ 2 a p × p matrix M(λ), where λ is a complex parameter. The imaginary part Im {M(λ)} is related to the spectral properties and serves as basis for the discussion of different concepts of spectral density for the normal modes of lattice dynamical problems. An important practical result is the equation M = −ΨΦa valid in the limit point case, generalizing the corresponding second‐order formula.Keywords
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