Electronic structure and ferromagnetism of Fe11NiSi4, Fe11CoSi4, Fe11CrSi4 and Fe3Si from first principles

Quan, Xie; Huang, Jin

doi:10.1016/j.intermet.2013.10.021

Cited by 8 publications

(3 citation statements)

References 26 publications

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“…A lower number of bonding electrons causes weaker electrostatic interactions. 52 On the contrary, when the electron doping concentration gradually increases from 0.1 e to 1.0 e , the DOS deviate towards lower energy regions, connoting an increment in the number of electrons below the Fermi level. This induces a more stable structure.…”

Section: Resultsmentioning

confidence: 98%

Charge doping and electric field tunable ferromagnetism and Curie temperature of the MnS₂ monolayer

Xie,

Wu,

Liao

et al. 2024

Phys. Chem. Chem. Phys.

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Section: Resultsmentioning

confidence: 98%

Charge doping and electric field tunable ferromagnetism and Curie temperature of the MnS₂ monolayer

Xie,

Wu,

Liao

et al. 2024

Phys. Chem. Chem. Phys.

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“…A lower number of bonding electrons causes weaker electrostatic interactions. [47] In addition, the TDOS for B 2 -2-B 2 -5 structures at the Fermi level increases from 13.06 to 16.89 states eV À1 , which means that the structural stability declines. A wider breadth of the pseudogap leads to stronger overlapping action.…”

Section: Resultsmentioning

confidence: 99%

“…The number of bonding electrons below the Fermi level decreases when Fe[B] atoms substitute more Si atoms. A lower number of bonding electrons causes weaker electrostatic interactions . In addition, the TDOS for B 2 ‐2–B 2 ‐5 structures at the Fermi level increases from 13.06 to 16.89 states eV −1 , which means that the structural stability declines.…”

Section: Resultsmentioning

confidence: 99%

The Degree‐of‐Order Dependent Electronic Structures and Magnetic Properties of Fe₃Si Alloys

Xie

Liao

et al. 2020

Physica Status Solidi (b)

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The effect of ordering degree on the electronic structures and magnetism of Fe 3 Si alloys are investigated scientifically using first-principles calculations based on plane-wave pseudopotential theory. The studied results of the heat of formation and cohesive energy for D0 3 and B 2 structures of Fe 3 Si reveal that the order of structural stability from high to low is B 2 -9, B 2 -8, B 2 -7, B 2 -6, D0 3 /B 2 -1, B 2 -2, B 2 -3, B 2 -4, and B 2 -5. Both D0 3 and B 2 structures of Fe 3 Si exhibit the metallic feature. A wider breadth of the pseudogap with occupation of Si sites by more Fe[B] atoms except B 2 -5 implies that the hybridization and covalent bond are intensified. Meanwhile, with substitution of Fe[B] atoms by more Si atoms, the stability of the system improves because the Fermi level is nearer to the bottom of the pseudogap. The origin of ferromagnetism for ordered Fe 3 Si except B 2 -9 is mainly from the Fe 3d spin polarization. Compared with D0 3 structure of Fe 3 Si, an increment in the concentration of Fe atoms with occupation of Si sites by more Fe[B] atoms causes the change of interaction between Fe and Si atoms and the total magnetic moment increases. On the contrary, the total magnetic moment decreases with gradual substitution of Fe[B] atoms by Si atoms.

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Effects of Cu addition on plasticity of Fe-6.5Si (wt.%) alloy at temperatures below 550 °C

et al. 2020

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Electronic structure and ferromagnetism of Fe11NiSi4, Fe11CoSi4, Fe11CrSi4 and Fe3Si from first principles

Cited by 8 publications

References 26 publications

Charge doping and electric field tunable ferromagnetism and Curie temperature of the MnS₂ monolayer

Charge doping and electric field tunable ferromagnetism and Curie temperature of the MnS₂ monolayer

The Degree‐of‐Order Dependent Electronic Structures and Magnetic Properties of Fe₃Si Alloys

Effects of Cu addition on plasticity of Fe-6.5Si (wt.%) alloy at temperatures below 550 °C

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Electronic structure and ferromagnetism of Fe11NiSi4, Fe11CoSi4, Fe11CrSi4 and Fe3Si from first principles

Cited by 8 publications

References 26 publications

Charge doping and electric field tunable ferromagnetism and Curie temperature of the MnS2 monolayer

Charge doping and electric field tunable ferromagnetism and Curie temperature of the MnS2 monolayer

The Degree‐of‐Order Dependent Electronic Structures and Magnetic Properties of Fe3Si Alloys

Effects of Cu addition on plasticity of Fe-6.5Si (wt.%) alloy at temperatures below 550 °C

Contact Info

Product

Resources

About

Charge doping and electric field tunable ferromagnetism and Curie temperature of the MnS₂ monolayer

Charge doping and electric field tunable ferromagnetism and Curie temperature of the MnS₂ monolayer

The Degree‐of‐Order Dependent Electronic Structures and Magnetic Properties of Fe₃Si Alloys