Electronic topological transitions in cadmium under pressure studied via theoretical and experimental x-ray absorption spectroscopy

Hinton, Jasmine K.; Schacher, Daniel; Lee, Wonseok; Smith, G. Alexander; Siska, Emily; Park, Changyong; Ellison, Paul B.; Cushing, Scott K.; Schwartz, Craig P.; Lawler, Keith V.; Salamat, Ashkan

doi:10.1103/physrevb.110.205118

Title: Electronic topological transitions in cadmium under pressure studied via theoretical and experimental x-ray absorption spectroscopy

Journal Article · 07 November 2024 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.110.205118 · OSTI ID:2476397

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Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); University of Nevada, Las Vegas, NV (United States); University of Nevada, Las Vegas
University of Nevada, Las Vegas, NV (United States)
California Institute of Technology (CalTech), Pasadena, CA (United States)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); University of Nevada, Las Vegas, NV (United States)
Argonne National Laboratory (ANL), Argonne, IL (United States)

Here, 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.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); University of Nevada, Las Vegas, NV (United States)

Sponsoring Organization:: DE-SC-0023355; NERSC; National Science Foundation (NSF); USDOE; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: 89233218CNA000001; AC02-05CH11231; AC02-06CH11357; AC05-00OR22725; SC0020303; SC0023355; SC0023431

OSTI ID:: 2476397

Report Number(s):: LA-UR--24-23789

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 20 Vol. 110; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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