Abstract
A one-dimensional potential V(x) consisting of two periodic components whose periods are incommensurate can give rise to localized electron states. Conventional numerical methods to calculate the localized eigenstates, either of the Schrodinger equation or the tight-binding models (TBM), are plagued by a numerical instability originating in a second solution which diverges for |x|→∞. We present a practical numerical algorithm for an arbitrary TBM which is free of this difficulty and which provides the localized eigenstates and their energies to ultra-high precision. The underlying method incorporates a generalization of a classic theorem of Pincherele for the existence of minimal solutions to three-term recurrence relations. We present numerical results for the Aubry model for ∆>1, where ∆=VI/(2VH) is a dimensionless coupling constant, VI is the strength of the incommensurate component of the one-electron potential and VH is the nearest-neighbor hopping matrix element. We propose that the well-known transition from localized to extended eigenstates which occurs as ∆ is reduced towards unity is accompanied by an incipient infinite degeneracy of the localized states. Our numerical results for the energy difference of any pair of nearly-degenerate localized states is well described by a power law, (∆-1)Y, but with a non-universal exponent Y.
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References and footnotes
For a recent review of the physics literature see J. B. Sokoloff, Phys. Reports 126, 189 (1985).
A useful although somewhat outdated guide to the mathematical literature of one-particle Schrodinger equations with random and almost-periodic potentials can be found in B. Simon, Adv. Appl. Math. 3, 463 (1982).
See, for example, R. Merlin, K. Bajema, R. Clarke, F.-Y. Juang, and P. K. Bhattacharya, Phys. Rev. Lett. 55, 1768 (1985) who have reported the successful fabrication of quasi-periodic GaAs-AlAs heterostructures.
See the review article by C. M. Falco and I. K. Schuller in Synthetic Modulated Structures, edited by L. L. Chang and B. C. Giessen, (Academic, New York, 1985) devoted to the construction and properties of layered metallic structures with layer thicknesses in the 10–100A range.
An early version of this procedure is given in M. Luban and B.N. Harmon, Solid State Commun. 51, 199 (1984).
A more detailed derivation is given in “Localized Eigenstates of One-Dimensional Tight-Binding Models: A New Algorithm”, M. Luban and J. H. Luscombe, (to be published.)
S. Aubry and G. Andre, Ann. Israel Phys. Soc. 3, 133 (1980).
N. B. Slater, Proc. Cambridge Philos. Soc. 46, 525 (1950).
S. Pincherele, Giorn. Mat. Battaglini 32, 209 (1894). A more accessible reference is R. B. Jones and W. J. Thron, Continued Fractions; Analytic Theory and Applications,in Encyclopedia of Mathematics, edited by G-C. Rota, (Addison-Wesley, London, 1980), Vol. 11, Sec. 5.3 and App. B.
Aubry’s duality arguments are appropriately termed “heuristic arguments” and definitely do not apply for all irrational q. The duality argument can be given for all irrational q, yet B. Simon and J. Avron [Bull. Amer. Math. Soc., 6, 81 (1982)] have given a rigorous proof that the states for ∆>1 are not localized if q is chosen from a very restricted class of irrational numbers. The irrational numbers considered in this work are not of this class and for these we find that Aubry’s claims are fulfilled.
M. Luban and J. H. Luscombe, (to be published).
S. Ostlund and R. Pandit, Phys. Rev. B29, 1394 (1984).
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© 1987 Plenum Press, New York
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Luban, M. (1987). Electron Localization in One-Dimensional Incommensurate Potentials. In: Vashishta, P., Kalia, R.K., Bishop, R.F. (eds) Condensed Matter Theories. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-0917-8_31
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DOI: https://doi.org/10.1007/978-1-4613-0917-8_31
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