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Theoretical examination of superconductivity in the cubic antiperovskite Cr3GaN under pressure
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10.1063/1.4817072
/content/aip/journal/jap/114/5/10.1063/1.4817072
http://aip.metastore.ingenta.com/content/aip/journal/jap/114/5/10.1063/1.4817072

Figures

Image of FIG. 1.
FIG. 1.

The cubic antiperovskite structure of CrGaN.

Image of FIG. 2.
FIG. 2.

The electronic structure of CrGaN in the cubic antiperovskite structure. The dashed horizontal line at 0 eV denotes the Fermi level, E.

Image of FIG. 3.
FIG. 3.

(a) Total and partial electronic density of states for CrGaN in the cubic antiperovskite structure. The position of the Fermi level is shown by dashed line. (b) Total electronic density of states for the cubic antiperovskite CrGaN at different pressures. The position of the Fermi level is shown by the dashed vertical line.

Image of FIG. 4.
FIG. 4.

Predicted pressure dependence of the density of stated at the Fermi level for CrGaN.

Image of FIG. 5.
FIG. 5.

(a) The calculated phonon dispersion curves along high symmetry directions in Brillouin zone for the cubic antiperovskite CrGaN. (b) Total and partial phonon density of states for CrGaN.

Image of FIG. 6.
FIG. 6.

Calculated phonon spectra of Cr3GaN for (a) normal pressure (0 GPa) and (b) 100 GPa, respectively.

Image of FIG. 7.
FIG. 7.

(a) The calculated electron-phonon spectral function for CrGaN as compared with that of CrRhN. (b) The electron-phonon coupling parameter (λ) as a function of pressure for CrGaN. (c) The superconductor transition temperature (T) as a function of pressure for CrGaN. Two choices for have been made: 0.11 and 0.13.

Tables

Generic image for table
Table I.

The calculated structural parameters for the cubic antiperovskite CrGaN. The obtained results are also compared with those for the cubic antiperovskite CrRhN and available experimental results.

Generic image for table
Table II.

Calculated vibration modes (in THz) at Γ for CrGaN as compared with its isostructural compound CrRhN.

Generic image for table
Table III.

The zone-centre electron-phonon coupling parameters for CrGaN as compared with those of its isostructural compound CrRhN.

Generic image for table
Table IV.

Comparison of superconducting state parameters for CrGaN and CrRhN. The parameter is taken to be 0.11.

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/content/aip/journal/jap/114/5/10.1063/1.4817072
2013-08-05
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Theoretical examination of superconductivity in the cubic antiperovskite Cr3GaN under pressure
http://aip.metastore.ingenta.com/content/aip/journal/jap/114/5/10.1063/1.4817072
10.1063/1.4817072
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