On the Linear Stability of Crystals in the Schrödinger–Poisson Model

• Published in: Journal of statistical physics 2016, Vol.165 (2), p.246-273
• Main Authors: Komech, A., Kopylova, E.
• Format: Article
• Language: English
• Subjects: Charge density; Dynamic stability; Dynamics; Generators; Ion charge; Jellium; Lattices; Linearization; Mathematical and Computational Physics; Operators; Physical Chemistry; Physics; Physics and Astronomy; Quantum Physics; Spectral resolution; Spectral theory; Stability; Statistical Physics and Dynamical Systems; Theoretical
• ISSN: 0022-4715; 1572-9613
• DOI: 10.1007/s10955-016-1613-x

We consider the Schrödinger–Poisson–Newton equations for crystals with one ion per cell. We linearize this dynamics at the periodic minimizers of energy per cell and introduce a novel class of the ion charge densities that ensures the stability of the linearized dynamics. Our main result is the energy positivity for the Bloch generators of the linearized dynamics under a Wiener-type condition on the ion charge density. We also adopt an additional ‘Jellium’ condition which cancels the negative contribution caused by the electrostatic instability and provides the ‘Jellium’ periodic minimizers and the optimality of the lattice: the energy per cell of the periodic minimizer attains the global minimum among all possible lattices. We show that the energy positivity can fail if the Jellium condition is violated, while the Wiener condition holds. The proof of the energy positivity relies on a novel factorization of the corresponding Hamilton functional. The Bloch generators are nonselfadjoint (and even nonsymmetric) Hamilton operators. We diagonalize these generators using our theory of spectral resolution of the Hamilton operators with positive definite energy (Komech and Kopylova in, J Stat Phys 154(1–2):503–521, 2014 , J Spectral Theory 5(2):331–361, 2015 ). The stability of the linearized crystal dynamics is established using this spectral resolution.