First-principles investigation of the electron-phonon interaction in OsN$_2$: Theoretical prediction of superconductivity mediated by N-N covalent bonds

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dc.creatorHernández, Alexander D.
dc.creatorMontoya, Javier A.
dc.creatorProfeta, Gianni
dc.creatorScandolo, Sandro
dc.date2008-03-12
dc.date.accessioned2026-07-07T09:26:26Z
dc.date.available2026-07-07T09:26:26Z
dc.descriptionA first-principles investigation of the electron-phonon interaction in the recently synthesized osmium dinitride (OsN$_2$) compound predicts that the material is a superconductor. Superconductivity in OsN$_2$ would originate from the stretching of covalently bonded dinitrogen units embedded in the transition-metal matrix, thus adding dinitrides to the class of superconductors containing covalently bonded light elements. The dinitrogen vibrations are strongly coupled to the electronic states at the Fermi level and generate narrow peaks in the Eliashberg spectral function $α^2F(ω)$. The total electron-phonon coupling of OsN$_2$ is $λ=0.37$ and the estimated superconducting temperature T$_c \approx 1$ K. We suggest that the superconducting temperature can be substantially increased by hole doping of the pristine compound and show that T$_c$ increases to 4 K with a doping concentration of 0.25 holes/OsN$_2$ unit.
dc.description4 pages, 5 figures
dc.identifierhttps://arxiv.org/abs/0803.1822
dc.identifierhttp://arxiv.org/abs/0803.1822
dc.identifierPhys. Rev. B 77, 092504 (2008)
dc.identifierdoi:10.1103/PhysRevB.77.092504
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/156751
dc.subjectSuperconductivity
dc.titleFirst-principles investigation of the electron-phonon interaction in OsN$_2$: Theoretical prediction of superconductivity mediated by N-N covalent bonds
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