Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevB.98.054436
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dc.titleJ? -pseudospin states and the crystal field of cubic systems
dc.contributor.authorIwahara, N
dc.contributor.authorUngur, L
dc.contributor.authorChibotaru, LF
dc.date.accessioned2022-07-15T08:59:48Z
dc.date.available2022-07-15T08:59:48Z
dc.date.issued2018-08-31
dc.identifier.citationIwahara, N, Ungur, L, Chibotaru, LF (2018-08-31). J? -pseudospin states and the crystal field of cubic systems. Physical Review B 98 (5). ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.98.054436
dc.identifier.issn24699950
dc.identifier.issn24699969
dc.identifier.urihttps://scholarbank.nus.edu.sg/handle/10635/228700
dc.description.abstractThe theory of J? pseudospin for the f element in a cubic environment is developed. By fulfilling the symmetry requirements and the adiabatic connection to the atomic limit, the crystal-field states are uniquely transformed into J?-pseudospin states. In terms of the pseudospin operators, both the total angular momentum and the crystal-field Hamiltonian contain higher-rank tensor terms than the traditional ones do, which means the present framework naturally includes effects such as covalency and J mixing beyond the f-shell model. Combining the developed theory with ab initio calculations, the J?-pseudospin states for Nd3+ and Np4+ ions in octahedral sites of insulators are derived.
dc.publisherAmerican Physical Society (APS)
dc.sourceElements
dc.typeArticle
dc.date.updated2022-07-15T02:54:34Z
dc.contributor.departmentDEPT OF CHEMISTRY
dc.description.doi10.1103/PhysRevB.98.054436
dc.description.sourcetitlePhysical Review B
dc.description.volume98
dc.description.issue5
dc.published.statePublished
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