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Valence instability is a key ingredient of the unusual properties of f electron materials, yet a clear understanding is lacking as it involves a complex interplay between f electrons and conduc- tion states. Here we propose a unified picture of pressure-induced valence transition in Sm and Yb monochalcogenides, considered as model system for mixed valent 4f-electron materials. Using high-resolution x-ray absorption spectroscopy, we show that the valence transition is driven by the promotion of a 4f electron specifically into the lowest unoccupied (LU) 5d t2g band. We demonstrate with a promotional model that the nature of the transition at low pressures is intimately related to the density of states of the LU band, while at high pressures it is governed by the hybridization strength. These results set a new standard for the generic understanding of valence fluctuations in f-electron materials.
The rare earth metal praseodymium (Pr) transforms from the d-fcc crystal structure (Pr-III) to {$alpha$}-U one (Pr-IV) at 20 GPa with a large volume collapse (${rmDelta} V/V$ = 0.16), which is associated with the valence change of the Pr ion. The two
Rare-earth nickelates exhibit a metal-insulator transition accompanied by a structural distortion that breaks the symmetry between formerly equivalent Ni sites. The quantitative theoretical description of this coupled electronic-structural instabilit
We present a computational study of PbCoO$_3$ at ambient and elevated pressure. We employ the static and dynamic treatment of local correlation in form of density functional theory + $U$ (DFT+$U$) and + dynamical mean-field theory (DFT+DMFT). Our res
We investigate the pressure dependence of the optical properties of CeTe$_3$, which exhibits an incommensurate charge-density-wave (CDW) state already at 300 K. Our data are collected in the mid-infrared spectral range at room temperature and at pres
Pressure induced isostructural insulator to metal transition for SmS is characterised by the presence of an intermediate valence state at higher pressure which cannot be captured by the density functional theory. As a direct outcome of including the