Pressure-induced crossing of the core levels in 5d metals

Article

关键词: EQUATION-OF-STATE;    CRYSTAL-STRUCTURE;    TRANSITION;    RHENIUM;    COMPRESSIBILITY;    STABILITY;    IRIDIUM;    GOLD;   

DOI  :  10.1103/PhysRevB.93.205150

来源: SCIE

【 摘 要 】

A pressure-induced interaction between core electrons, the core-level crossing (CLC) transition, has been observed in hcp Os at P approximate to 400 GPa [L. Dubrovinsky et al., Nature (London) 525, 226 (2015)]. By carrying out a systematic theoretical study for all metals of the 5d series (Hf, Ta, W, Re, Os, Ir, Pt, Au) we have found that the CLC transition is a general effect for this series of metals. While in Pt it occurs at approximate to 1500 GPa, at a pressure substantially higher than in Os, in Ir it occurs already at 80 GPa. Moreover, we predict that in Re the CLC transition may take place already at ambient pressure. We explain the effect of the CLC and analyze the shift of the transition pressure across the series within the Thomas-Fermi model. In particular, we show that the effect has many common features with the atomic collapse in rare-earth elements.

【 授权许可】

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