Abstract
An electronic topological transition (ETT) in cadmium below 1 GPa is investigated in situ with experimental x-ray absorption spectroscopy and projecting calculated core-valence excitons onto the band structure. These projections are a useful application of the Bethe-Salpeter equation approach that considers many-body effects. The method described herein can be used for systems that are otherwise difficult to probe in situ; therefore, it provides a generalizable approach to identifying and understanding ETTs under high pressure. Although pressure-induced ETTs are often probed using indirect structural responses, our own x-ray diffraction and Raman studies suggest a second-order structural transition around 3 GPa but are largely insensitive to or inconclusive for the previously studied ETT in this region.
| Original language | English |
|---|---|
| Article number | 205118 |
| Journal | Physical Review B |
| Volume | 110 |
| Issue number | 20 |
| DOIs | |
| State | Published - Nov 15 2024 |
Funding
This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences under Award No. DE-SC0020303. Portions of this work were performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA's Office of Experimental Sciences. The Advanced Photon Source is a U.S. DOE Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. D.S., C.P.S., and K.V.L. were supported by Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy under DOE Grant No. DE-SC-0023355. This research used resources of the National Energy Research Scientific Computing Center (NERSC), U.S. DOE Office of Science User Facility located at Lawrence Berkeley National Laboratory, operated under Contract No. DE-AC02-05CH11231 using NERSC Awards No. BES-ERCAP0023039 and No. BES-ERCAP0023126. W.L. acknowledges support from the Korea Foundation for Advanced Studies. W.L. and S.K.C. were supported as part of Ensembles of Photosynthetic Nanoreactors (EPN), an Energy Frontiers Research Center funded by the U.S. DOE, Office of Science under Award No. DE-SC0023431. The exciton distribution calculations presented here were conducted in the Resnick High Performance Computing Center, a facility supported by Resnick Sustainability Institute at the California Institute of Technology. G. A. Smith contributed to this work while at the National High Magnetic Field Laboratory. The National High Magnetic Field Laboratory is supported by the National Science Foundation through NSF/DMR-2128556, the State of Florida, and the U.S. DOE.