The effect of spin orbit interaction for superconductivity in the noncentrosymmetric superconductor CaIrSi3

Uzunok, H.Y.; İpsara, E.; Tütüncü, H. M.; Srivastava, G. P.; Başoğlu, Adi̇l

doi:10.1016/j.jallcom.2016.04.245

Cited by 13 publications

(12 citation statements)

References 31 publications

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“…We have to mention that a similar observation has been made for CaIrSi 3 in our previous work [53], although its structure (BaNiSn 3 type) lacks inversion symmetry along the c-axis.…”

Section: Structural Elastic and Electronic Propertiessupporting

confidence: 83%

Physical properties of the body-centred tetragonal

Karaca

Arslan

Tütüncü

et al. 2017

Philosophical Magazine

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We have investigated the structural, elastic, electronic, and lattice dynamical properties of CaPd 2 Ge 2 in the body-centred tetragonal ThCr 2 Si 2 structure using a generalized gradient approximation of the density functional theory and the ab initio pseudopotential method. The calculated second-order elastic constants indicate that CaPd 2 Ge 2 is mechanically stable and behaves in a ductile manner. Our electronic results show that the states close to the Fermi level are primarily contributed by Pd d and Ge p orbitals. A detailed analysis of electron-phonon interaction calculations reveals that the mechanism for superconductivity in CaPd 2 Ge 2 is mainly governed by interactions of Pd d and Ge p electrons around the Fermi level with acoustic phonon modes and low-frequency optical phonon modes, which strongly change PdGe 4 tetrahedral bond angles. The values of the average electron-phonon coupling constant and the logarithmic average frequency are calculated to be 0.66 and 77.3 K, respectively. Inserting these values into the Allen-Dynes formula with using an acceptable value of µ * = 0.13 for the effective Coulomb repulsion parameter, the value of superconducting transition temperature is obtained to be 1.69 K, which is in excellent agreement with its experimental value.

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“…We have to mention that a similar observation has been made for CaIrSi 3 in our previous work [53], although its structure (BaNiSn 3 type) lacks inversion symmetry along the c-axis.…”

Section: Structural Elastic and Electronic Propertiessupporting

confidence: 83%

Physical properties of the body-centred tetragonal

Karaca

Arslan

Tütüncü

et al. 2017

Philosophical Magazine

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“…Recently, the linear response approach and the Migdal-Eliashbergh approach [31][32][33][34] have been combined to probe electron-phonon interaction properties of several BaNiSn 3 -type NCS such as SrAuSi 3 , CaIrSi 3 , LaIrSi 3 , LaPdSi 3 , LaRhSi 3 , and LaPtSi 3 . The results of these theoretical studies [31][32][33][34] reveal that the impact of SOC on the electron-phonon interaction in these NCSs is little due to the weak effect of this coupling on their electronic band structures near the Fermi level. Furthermore, first-principles pseudopotential calculations [35] have been carried out to investigate the effect of SOC on superconductivity in the noncentrosymmetric BaPtSb superconductor.…”

Section: Introductionmentioning

confidence: 99%

Physical properties of hexagonal BaPtAs with noncentrosymmetric SrPtSb-type and centrosymmetric YPtAs-type crystal structures: Effects of spin-orbit coupling

et al. 2019

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Recently, superconductivity in BaPtAs with the noncentrosymmetric SrPtSb and the centrosymmetric YPtAsstructure has been discovered. Its noncentrosymmetric and centrosymmetric structures make BaPtAs a charming compound for searching the effect of spin-orbit coupling (SOC) onto superconductors with broken and preserved spatial inversion symmetry. We have investigated the effect of SOC on the physical and electron-phonon interaction properties of these phases of BaPtAs by using the generalized gradient approximation of the density functional theory and the plane-wave pseudopotential method. The inclusion of SOC has moderate effect on the elastic and electronic properties, and on phonon frequencies for both phases of BaPtAs. However, SOC makes an opposite impact on their Eliashberg spectral function. For the noncentrosymmetric phase, this coupling decreases the strength of dominant peaks of Eliashberg spectral function, reducing the values of average electron-phonon coupling and superconducting transition temperature. The scenario is exactly opposite for the centrosymmetric phase. For both phases, the hybridized Pt-As vibrations play a strongly significant role in determining their electron-phonon interaction properties since their electronic states have the dominant contribution near the Fermi level. The superconducting temperature is estimated to be 2.87 K for the SrPtSb phase and 2.38 K for the YPtAs phase. These values compare well with the reported measured values of 2.8 K and 2.1-3.0 K, respectively.

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“…Recently, the electronic structure of LaPt 3 Si has been calculated by using the DFT within the LDA [20]. Very recently, Uzunok and co-workers [24] have carried out an ab initio study of the electronic, vibrational and electron-phonon interaction properties of CaIrSi 3 by employing the DFT, a linear response formalism, and the plane-wave pseudopotential method. This theoretical work reveals that the influence of spin-orbit interaction (SOI) on the average electron-phonon coupling parameter is very small.…”

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confidence: 99%

The influence of spin orbit interaction on phonons and superconductivity in the noncentrosymmetric superconductors LaPt 3 Si and LaPtSi 3

et al. 2017

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We have performed ab initio study of structural, electronic, vibrational and electronphonon interaction properties of LaPt 3 Si and LaPtSi 3 by employing the density functional theory, a linear-response formalism, and the plane-wave pseudopotential method. The electronic structure, phonon dispersion relations and the Eliashberg spectral function for these materials have been examined with and without the inclusion of spin-orbit interaction (SOI). Our electron-phonon interaction results reveal that the influence of spin-orbit interaction on phonons and superconductivity in these noncentrosymmetric superconductors is very small. Thus, we can conclude that a mixing of the spin-singlet and the spin-triplet components in these superconductors is weak and the spin-singlet Cooper pairs dominate. By integrating the Eliashberg spectral function α 2 F (ω), the average electron-phonon coupling parameter λ is obtained to be 0.470 for LaPt 3 Si and 0.488 for LaPtSi 3 , indicating these to be weak-coupling BCS superconductors. Using an acceptable value of µ * = 0.13 for the effective Coulomb repulsion parameter, the superconducting critical temperature T c is calculated to be 0.67 K for LaPt 3 Si and 1.39 K for LaPtSi 3 , in good accordance with experimental values of 0.65 K and 1.52 K, respectively.

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The effect of spin orbit interaction for superconductivity in the noncentrosymmetric superconductor CaIrSi3

Cited by 13 publications

References 31 publications

Physical properties of the body-centred tetragonal

Physical properties of the body-centred tetragonal

Physical properties of hexagonal BaPtAs with noncentrosymmetric SrPtSb-type and centrosymmetric YPtAs-type crystal structures: Effects of spin-orbit coupling

The influence of spin orbit interaction on phonons and superconductivity in the noncentrosymmetric superconductors LaPt 3 Si and LaPtSi 3

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