THEORY OF HIGH-PRESSURE PHASES OF PB
|Title||THEORY OF HIGH-PRESSURE PHASES OF PB|
|Publication Type||Journal Article|
|Year of Publication||1991|
|Authors||Liu, A. Y., Garcia A., Cohen M. L., Godwal B. K., and Jeanloz R.|
|Journal||Physical Review B|
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.