Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization

Physical Review B 93, 075153 (2016)

Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization

Marco Casadei, Xinguo Ren, Patrick Rinke, Angel Rubio,, Matthias Scheffler

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http://dx.doi.org/10.1103/PhysRevB.93.075153
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This work was supported by the Academy of Finland through its Centres of Excellence Programme under Projects No. 251748 and No. 284621. A.R. acknowledges financial support from the European Research Council Advanced Grant DYNamo (ERC-2010-AdG-267374), Ministerio de Economıa y Competitividad No. FIS2013-46159-C3-1-P, Grupos Consolidados UPV/EHU del Gobierno Vasco (IT578-13), European Community FP7 project CRONOS (Grant No. 280879-2), and COST Actions No. CM1204 (XLIC) and No. MP1306 (EUSpec).

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