Displacement field and elastic constants in nonideal crystals

作者:Walz C*; Fuchs M
来源:Physical Review B, 2010, 81(13): 134110.
DOI:10.1103/PhysRevB.81.134110

摘要

In this work a periodic crystal with point defects is described in the framework of linear-response theory for broken-symmetry states using correlation functions and Zwanzig-Mori equations. The main results are microscopic expressions for the elastic constants and for the coarse-grained density, point-defect density, and displacement field, which are valid in real crystals, where vacancies and interstitials are present. The coarse-grained density field differs from the small wave-vector limit of the microscopic density. In the long-wavelength limit, we recover the phenomenological description of elasticity theory including the defect density.

  • 出版日期2010-4-1