Theoretical studies of elastic and thermodynamic properties of cubic B20 CoSi

Liu, Yong; Li, Shina; Wang, Zhi-Zhou

doi:10.1016/j.physb.2012.08.028

Cited by 15 publications

(5 citation statements)

References 40 publications

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“…The results for CoSi and RuSi are in agreement with previous theoretical studies [31,32]. For some structures there is no comparison data available in the literature.…”

Section: Equations Of Statesupporting

confidence: 87%

High pressure stability of the monosilicides of cobalt and the platinum group elements

Hernandez

Vočadlo

Wood

2015

Journal of Alloys and Compounds

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“…The results for CoSi and RuSi are in agreement with previous theoretical studies [31,32]. For some structures there is no comparison data available in the literature.…”

Section: Equations Of Statesupporting

confidence: 87%

High pressure stability of the monosilicides of cobalt and the platinum group elements

Hernandez

Vočadlo

Wood

2015

Journal of Alloys and Compounds

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“…It is known that the phonon spectra of FeSi, as of any another compound, consists of 3 acoustical and 3n À3 optical modes, where n is the number of atoms in the unit cell (in the case of FeSi n ¼2). However, one can approximately consider the lattice vibrations of a compound by means of the 'effective' acoustic modes [17,18], each of which in the case of FeSi is double degenerate.…”

Section: Model Descriptionmentioning

confidence: 99%

Phonon anharmonicity of iron monosilicide

Povzner

Filanovich

2015

Physica B: Condensed Matter

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“…The members of this family are potentially cheap and their vast abundance makes them good for thermoelectric applications. Amongst them, CoSi has been found to be one of the candidates for advanced thermoelectric applications [3][4][5][6][7][8][9]. CoSi has been reported as semi-metal due to the slight overlap of conduction bands (CB) and the valence bands (VB) at the Fermi level [10][11][12].…”

Section: Introductionmentioning

confidence: 99%

First-priniciple based study of transport properties of non-trivial topological fermions of CoSi

Dutta,

Pandey

2021

Preprint

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Recently, CoSi has been identified to have unconventional electronic topology due to lack of inversion center in its B20 cubic structure. The electronic topology has been reported to be present at three nodal points found in the band structure. Two of these nodal points are situated at the Γ (G1 & G2) and one at R (R1) point. Based on this, we present a study where various transport coefficients are investigated by using first-principle based DFT method for the temperature (T) range 40-300 K. For the chemical potential (µ) corresponding to energies of these nodal points and at the Fermi level (EF ), 3D constant energy surfaces are constructed. They have shown that the number of states available at energies of these nodal points and the EF follows an increasing trend as R1 > G2 > EF > G1 at T = 0 K. Similar increasing behavior seems to follow by other transport coefficients at different µ with T rise such as electrical conductivity(σ)/relaxation time(τ ) ratio and electronic thermal conductivity (κe/τ = κ 0 ). For example, at T = 100 K, σ/τ ∼ 0.13×10 20 Ω −1 m −1 s −1 at G1 whereas its value reaches ∼ 0.18×10 20 Ω −1 m −1 s −1 at R1 nodal point. However, Seebeck coefficient (S ) seems to follow the trend as G2 > EF > R1 > G1 at any given T. The values of S are obtained to be positive at the µ corresponding to the G2, R1 & EF (except G1) which is increasing with the rise in T. Also, the dominant charge carriers at G1 point are found to be electrons for T < 225 K whereas for T > 225 K, the charge carriers are obtained to be dominated by holes. Furthermore, the doping concentrations have also been calculated for G1 (electron doping ∼ 2.25×10 22 cm −3 ), G2 & R1 points (hole doping ∼ 4.10×10 20 cm −3 & 7.22×10 22 cm −3 , respectively).

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Theoretical studies of elastic and thermodynamic properties of cubic B20 CoSi

Cited by 15 publications

References 40 publications

High pressure stability of the monosilicides of cobalt and the platinum group elements

High pressure stability of the monosilicides of cobalt and the platinum group elements

Phonon anharmonicity of iron monosilicide

First-priniciple based study of transport properties of non-trivial topological fermions of CoSi

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