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- W3125832406 abstract "We report electronic and magnetic properties of full Heusler Pd 2 TiIn based on first principles calculations. This compound has been variously characterized as magnetic or non-magnetic. We use first principles calculations with accurate methods to reexamine this issue. We find that ideal ordered Heusler Pd 2 TiIn remains non-magnetic, in accord with prior work. However, we do find that it is possible to explain the magnetism seen in experiments through disorder and in particular we find that site disorder can lead to moment formation in this compound. In addition, we find an alternative low energy cubic crystal structure, which will be of interest to explore experimentally." @default.
- W3125832406 created "2021-02-01" @default.
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- W3125832406 date "2021-01-01" @default.
- W3125832406 modified "2023-10-18" @default.
- W3125832406 title "Disorder and Itinerant Magnetism in Full Heusler Pd<sub>2</sub>TiIn" @default.
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- W3125832406 doi "https://doi.org/10.1088/0256-307x/38/1/017102" @default.
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