On Born’s Conjecture about Optimal Distribution of Charges for an Infinite Ionic Crystal
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On Born’s Conjecture about Optimal Distribution of Charges for an Infinite Ionic Crystal. / Bétermin, Laurent; Knüpfer, Hans.
I: Journal of Nonlinear Science, Bind 28, Nr. 5, 16.04.2018, s. 1629–1656 .Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - On Born’s Conjecture about Optimal Distribution of Charges for an Infinite Ionic Crystal
AU - Bétermin, Laurent
AU - Knüpfer, Hans
PY - 2018/4/16
Y1 - 2018/4/16
N2 - 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.
AB - 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.
U2 - 10.1007/s00332-018-9460-3
DO - 10.1007/s00332-018-9460-3
M3 - Journal article
VL - 28
SP - 1629
EP - 1656
JO - Journal of Nonlinear Science
JF - Journal of Nonlinear Science
SN - 0938-8974
IS - 5
ER -
ID: 195196639