Trends in the valence band electronic structures of mixed uranium oxides
نویسندگان
چکیده
منابع مشابه
Configurational electronic entropy and the phase diagram of mixed-valence oxides: the case of LixFePO4.
We demonstrate that configurational electronic entropy, previously neglected, in ab initio thermodynamics of materials can qualitatively modify the finite-temperature phase stability of mixed-valence oxides. While transformations from low-T ordered or immiscible states are almost always driven by configurational disorder (i.e., random occupation of lattice sites by multiple species), in FePO4-L...
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ژورنال
عنوان ژورنال: Chemical Communications
سال: 2018
ISSN: 1359-7345,1364-548X
DOI: 10.1039/c8cc05464a