Berlin / Preston / Amsterdam / London / Boston / New York / Wiley / /
Company
S. I. Simak A. E. / FP-LAPW FP-LMTO LCGTO-FF PAW FP-LAPW LDA / Cambridge University Press / WC LDA / United Kingdom 3Materials Simulation Laboratory / McGraw-Hill / /
Country
United Kingdom / /
Facility
Technical University of Vienna / /
IndustryTerm
metal / vibrational free energy / transition-metal energetics / 3kBT relative free-energy shift / electron gas / transition-metal systematics / 4d transition-metal series / exchange energy / hcp-bcc energy differences / energy dependent / ground-state energy / uniform electron gas / exchange-correlation energy / transition-metal phase diagrams / energy dependence / calculated energy differences / exchange-energy / transition-metal series / energy curves / energy difference / energy differences / band energy / energy results / cohesive energy / energy / /
OperatingSystem
Fermi / /
Organization
Her Majesty’s Stationery Office / Cambridge University / University of Vienna / Vienna / Federal Communications Commission / C. Cazorla / 1 / 2 / 3 D. Alfè / 1 / 2 / 3 / 4 and M. J. Gillan1 / 2 / 3 1London Centre for Nanotechnology / U.S. Securities and Exchange Commission / /
Person
J. Luitz / S. J. Sferco / P. Blaha / Technetium Tc / K. Schwarz / Mo / A. Fernandez Guillermet / /
PHYSICAL REVIEW B 77, 224103 共2008兲 Zero-temperature generalized phase diagram of the 4d transition metals under pressure C. Cazorla,1,2,3 D. Alfè,1,2,3,4 and M. J. Gillan1,2,3 1London