THEORY OF HIGH-PRESSURE PHASES OF PB

TitleTHEORY OF HIGH-PRESSURE PHASES OF PB
Publication TypeJournal Article
Year of Publication1991
AuthorsLiu, A. Y., Garcia A., Cohen M. L., Godwal B. K., and Jeanloz R.
JournalPhysical Review B
Volume43
Pagination1795-1798
Abstract

We have studied the behavior of Pb at high pressure using the first-principles pseudopotential total-energy method, with spin-orbit effects treated within perturbation theory. Our calculations agree with recent experiments that indicate that Pb undergoes a phase transition to the bcc structure at pressures on the order of 100 GPa.