Chemical bonding, magnetic and electronic properties, mechanical and dynamical stabilities of DyOs4P12 filled-skutterudite: DFT and QTAIM insight

DyOs4P12 is a ferromagnetic metal that has a very low Curie temperature of about 2 K. This work will offer a wide-ranging theoretical study complementary to experimental work on this compound. The found results have confirmed the mechanical stability of DyOs4P12 under slight mechanical strains and t...

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Veröffentlicht in:	Materials chemistry and physics 2022-02, Vol.278, p.125684, Article 125684
Hauptverfasser:	Nekous, M., Sahli, B., Belarbi, M., Bouafia, H., Dorbane, A., Uğur, Ş., Uğur, G.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical bonding Chemical bonds Critical point Curie temperature Dynamic stability Dynamical stability DyOs4P12 Elastic analysis Elastic anisotropy Electron density Ferromagnetism GGA+U+SOC Magnetic properties Stability analysis
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