Dual roles of f electrons in mixing Al 3p character into d -orbital conduction bands for lanthanide and actinide dialuminides

Altman, Alison B.; Pemmaraju, C. D.; Alayoglu, Selim; Arnold, John; Bauer, Eric D.; Booth, Corwin H.; Fisk, Zachary; Pacold, Joseph I.; Prendergast, David; Shuh, David K.; Tyliszczak, Tolek; Wang, Jian; Minasian, Stefan G.

doi:10.1103/PhysRevB.97.045110

Dual roles of $f$ electrons in mixing Al $3 p$ character into $d$ -orbital conduction bands for lanthanide and actinide dialuminides

Journal Article · Mon Jan 15 00:00:00 EST 2018 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.97.045110· OSTI ID:1419468

Altman, Alison B. ^[1]; Pemmaraju, C. D. ^[2]; Alayoglu, Selim ^[2]; Arnold, John ^[1]; Bauer, Eric D. ^[3]; Booth, Corwin H. ^[2]; Fisk, Zachary ^[4]; Pacold, Joseph I. ^[2]; Prendergast, David ^[2]; Shuh, David K. ^[2]; Tyliszczak, Tolek ^[2]; Wang, Jian ^[5]; Minasian, Stefan G. ^[2]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Univ. of California, Irvine, CA (United States)
Canadian Light Source, Saskatoon, Saskatchewan (Canada)

Correlated electron phenomena in lanthanide and actinide materials are driven by a complex interplay between the f and d orbitals. Here in this study, aluminum K-edge x-ray absorption spectroscopy and density functional theory calculations are used to evaluate the electronic structure of the dialuminides, MAl₂ (M = Ce, Sm, Eu, Yb, Lu, U, and Pu). The results show how the energy and occupancy of the 4f or 5f orbitals impacts mixing of Al 3p character into the 5d or 6d conduction bands, which has implications for understanding the magnetic and structural properties of correlated electron systems.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231; AC52-06NA25396

OSTI ID:: 1419468

Alternate ID(s):: OSTI ID: 1416422
OSTI ID: 1460634

Report Number(s):: LA-UR--16-29349; ark:/13030/qt7hg5z24f

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 4 Vol. 97; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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