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Thermodynamic properties of paramagnetic α- and β−Mn from first principles: The effect of transverse spin fluctuations

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First-principles-based thermodynamic modeling of cubic alpha and beta phases of Mn represent a challenge due to their structural complexity and the necessity of simultaneous treatment of several ty ... Click to show full abstract

First-principles-based thermodynamic modeling of cubic alpha and beta phases of Mn represent a challenge due to their structural complexity and the necessity of simultaneous treatment of several ty ...

Keywords: thermodynamic properties; principles effect; effect transverse; paramagnetic first; properties paramagnetic; first principles

Journal Title: Physical Review Materials
Year Published: 2017

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