On Born’s Conjecture about Optimal Distribution of Charges for an Infinite Ionic Crystal

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  • Laurent Bétermin
  • Hans Knüpfer
We study the problem for the optimal charge distribution on the sites of a fixed Bravais lattice. In particular, we prove Born’s conjecture about the optimality of the rock salt alternate distribution of charges on a cubic lattice (and more generally on a d-dimensional orthorhombic lattice). Furthermore, we study this problem on the two-dimensional triangular lattice and we prove the optimality of a two-component honeycomb distribution of charges. The results hold for a class of completely monotone interaction potentials which includes Coulomb-type interactions for d≥3. In a more general setting, we derive a connection between the optimal charge problem and a minimization problem for the translated lattice theta function.
Original languageEnglish
JournalJournal of Nonlinear Science
Volume28
Issue number5
Pages (from-to)1629–1656
ISSN0938-8974
DOIs
Publication statusPublished - 16 Apr 2018

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