Minimality of the rock-salt structure for inverse-power and Gaussian interactions
Minimality of the rock-salt structure for inverse-power and Gaussian interactions
Let and let be the charged-lattice energy defined by the source. For , let be the cubic lattice of volume , and let be its alternating charge distribution. Let be the exponents in the inverse-power potentials, let be the parameters in the Gaussian potentials, and let be the volume specified by the source.
Minimality of the rock-salt structure. There exist , depending only on , such that the global minimizer of is of the form
for some if either are the specified inverse-power potentials with and , or they are the specified Gaussian potentials with . Moreover, in the inverse-power case, .
This conjecture is motivated by numerical comparisons in dimensions , , and , where the rock-salt structure has the lowest observed energy among the tested competitors. The source does not provide a proof of the asserted global minimization statement.
Sources & referencesView supporting material
Primary source
Laurent Bétermin, Markus Faulhuber and Hans Knüpfer, “On the optimality of the rock-salt structure among lattices with charge distributions”, arXiv:2004.04553 (2020).
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