DFT calculations on Cu(100) show that the linear temperature dependence of the electric field gradient at surface atoms correlates with anisotropic relaxation and the ionic contribution to the EFG.
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First-Principles Study of the Temperature Dependence of Structural, Electronic, and Hyperfine Properties of the Cu(100) Surface
DFT calculations on Cu(100) show that the linear temperature dependence of the electric field gradient at surface atoms correlates with anisotropic relaxation and the ionic contribution to the EFG.