Electronic Transitions in f-electron Metals at High Pressures:

Yoo, C ; Maddox, B ; Lazicki, A ; Iota, V ; Klepeis, J P ; McMahan, A

Lawrence Livermore National Laboratory

关键词: Advanced Photon Source;    Electronic Structure;    Training;    Emission Spectroscopy;    Crystal Structure;   

DOI  :  10.2172/902239
RP-ID  :  UCRL-TR-228003
RP-ID  :  W-7405-ENG-48
RP-ID  :  902239

美国|英语

来源: UNT Digital Library

【 摘 要 】

This study was to investigate unusual phase transitions driven by electron correlation effects that occur in many f-band transition metals and are often accompanied by large volume changes: {approx}20% at the {delta}-{alpha} transition in Pu and 5-15% for analogous transitions in Ce, Pr, and Gd. The exact nature of these transitions has not been well understood, including the short-range correlation effects themselves, their relation to long-range crystalline order, the possible existence of remnants of the transitions in the liquid, the role of magnetic moments and order, the critical behavior, and dynamics of the transitions, among other issues. Many of these questions represent forefront physics challenges central to Stockpile materials and are also important in understanding the high-pressure behavior of other f- and d-band transition metal compounds including 3d-magnetic transition monoxide (TMO, TM=Mn, Fe, Co, Ni). The overarching goal of this study was, therefore, to understand the relationships between crystal structure and electronic structure of transition metals at high pressures, by using the nation's brightest third-generation synchrotron x-ray at the Advanced Photon Source (APS). Significant progresses have been made, including new discoveries of the Mott transition in MnO at 105 GPa and Kondo-like 4f-electron dehybridization and new developments of high-pressure resonance inelastic x-ray spectroscopy and x-ray emission spectroscopy. These scientific discoveries and technology developments provide new insights and enabling tools to understand scientific challenges in stockpile materials. The project has broader impacts in training two SEGRF graduate students and developing an university collaboration (funded through SSAAP).