Wei Si, Shifeng Li, Pingwen Zhang, An-Chang Shi, Kai Jiang
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Designing a minimal Landau theory to stabilize desired quasicrystals
Interparticle interactions with multiple length scales play a pivotal role in
the formation and stability of quasicrystals. Choosing a minimal set of length
scales to stabilize a given quasicrystal is a challenging problem. To address
this challenge, we propose an intelligent screening method (ISM) to design a
Landau theory with a minimal number of length scales -- referred to as the
minimal Landau theory -- that includes only the essential length scales
necessary to stabilize quasicrystals. Based on a generalized
multiple-length-scale Landau theory, ISM first evaluates various spectral
configurations of candidate structures under a hard constraint. It then
identifies the configuration with the lowest free energy. Using this optimal
configuration, ISM calculates phase diagrams to explore the thermodynamic
stability of desired quasicrystals. ISM can design a minimal Landau theory
capable of stabilizing the desired quasicrystals by incrementally increasing
the number of length scales. Our application of ISM has not only confirmed
known behaviors in 10- and 12-fold quasicrystals but also led to a significant
prediction that quasicrystals with 8-, 14-, 16-, and 18-fold symmetry could be
stable within three-length-scale Landau models.