Magnetic moment collapse induced axial alternative compressibility of Cr2TiAlC2 at 420 GPa from first principle

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Magnetic moment collapse induced axial alternative compressibility of Cr2TiAlC2 at 420 GPa from first principle

The electronic structure and thermodynamical properties of Cr2TiAlC2 are studied by first principles under pressure. The obtained results observed that the ferromagnetic order is the most stable ground state and the magnetic moment will collapse at about 50 GPa. As a result, the lattice a axis becomes stiffer above about 420 GPa, ultimately presenting the same axial compressibility trends with ...

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ژورنال

عنوان ژورنال: Scientific Reports

سال: 2016

ISSN: 2045-2322

DOI: 10.1038/srep34092