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Lattice dynamics and superconducting properties of antiperovskite La3InZ (Z=N,O)

Identifieur interne : 000081 ( Main/Repository ); précédent : 000080; suivant : 000082

Lattice dynamics and superconducting properties of antiperovskite La3InZ (Z=N,O)

Auteurs : RBID : Pascal:14-0099112

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Abstract

Electronic and superconducting properties of La3InZ (Z=N, O) compounds are studied and are compared with La3In. From the density of states of La3InZ it is quite clear that the hybridization between La-d and In-p states gets reduced with the inclusion of the Z atom in comparison with La3In. A Fermi surface topology change is observed only in La3InO under compression, which is attributed to the non-monotonic variation of the density of states. The calculated superconducting transition temperature (Tc) is less than 2 K for N containing compound, and is found to be above 2 K for 0 containing compound and the trend agrees well with the experimental findings. The reason for the suppression of the Tc due to the inclusion of the Z atom is also discussed from the band structure and phonon dispersion plots, where we find the phonon modes to harden in La3InZ.

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Pascal:14-0099112

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<title xml:lang="en" level="a">Lattice dynamics and superconducting properties of antiperovskite La
<sub>3</sub>
InZ (Z=N,O)</title>
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<name sortKey="Ram, Swetarekha" uniqKey="Ram S">Swetarekha Ram</name>
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<s1>Department of Physics, Indian Institute of Technology Hyderabad, Ordnance Factory Estate</s1>
<s2>Yeddumailaram 502 205, Andhra Pradesh</s2>
<s3>IND</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
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<country>Inde</country>
<wicri:noRegion>Yeddumailaram 502 205, Andhra Pradesh</wicri:noRegion>
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<name sortKey="Kanchana, V" uniqKey="Kanchana V">V. Kanchana</name>
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<div type="abstract" xml:lang="en">Electronic and superconducting properties of La
<sub>3</sub>
InZ (Z=N, O) compounds are studied and are compared with La
<sub>3</sub>
In. From the density of states of La
<sub>3</sub>
InZ it is quite clear that the hybridization between La-d and In-p states gets reduced with the inclusion of the Z atom in comparison with La
<sub>3</sub>
In. A Fermi surface topology change is observed only in La
<sub>3</sub>
InO under compression, which is attributed to the non-monotonic variation of the density of states. The calculated superconducting transition temperature (T
<sub>c</sub>
) is less than 2 K for N containing compound, and is found to be above 2 K for 0 containing compound and the trend agrees well with the experimental findings. The reason for the suppression of the T
<sub>c</sub>
due to the inclusion of the Z atom is also discussed from the band structure and phonon dispersion plots, where we find the phonon modes to harden in La
<sub>3</sub>
InZ.</div>
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<s0>Electronic and superconducting properties of La
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<sub>3</sub>
InZ it is quite clear that the hybridization between La-d and In-p states gets reduced with the inclusion of the Z atom in comparison with La
<sub>3</sub>
In. A Fermi surface topology change is observed only in La
<sub>3</sub>
InO under compression, which is attributed to the non-monotonic variation of the density of states. The calculated superconducting transition temperature (T
<sub>c</sub>
) is less than 2 K for N containing compound, and is found to be above 2 K for 0 containing compound and the trend agrees well with the experimental findings. The reason for the suppression of the T
<sub>c</sub>
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<sub>3</sub>
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