Abstract
We have examined the structural properties of bulk copper within the body-centered-tetragonal (bct) crystal system using the pseudopotential plane-wave-basis scheme. By calculating the total energy as a function of $\frac{c}{a}$ and volume, where $a$ and $c$ are in-plane and vertical lattice constants, we show that the bcc double minima and metastable bct phase, which were reported in the previous pseudopotential mixed-basis studies, are absent in the energy surface. Based on the calculated results, we suggest an alternative interpretation of a recent scanning tunneling microscopy experiment on Cu/Pd(100).
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