Volume 73, Number 1, January 2006
|Page(s)||76 - 82|
|Section||Condensed matter: structural, mechanical and thermal properties|
|Published online||02 December 2005|
Shadow wave function variational calculation of bond orientational order and disclination in liquid and solid
Physics Department, Ocean University of China - Qingdao, PRC
2 Physics Department, University of Trento - I-38050, Povo, Trento, Italy
Accepted: 2 November 2005
By means of shadow wave function (SWF), a variational Monte Carlo simulation of 500 particles has been performed to study bond orientational order and disclination defects in liquid and solid . Convincing evidence is presented that this structural order can be interpreted as entanglement and interpenetration of defective icosahedra sharing common vertexes and faces. Thereby, it is demonstrated that a defect as those observed in quantum solid is due to the relatively large-amplitude vibration of atoms. The matching relation of bonds which is used to form a defective icosahedron has been discussed in this paper.
PACS: 67.40.-w – Boson degeneracy and superfluidity of / 67.40.Yv – Impurities and other defects
© EDP Sciences, 2005
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