Pressure effects on the electronic properties and superconductivity of the β -pyrochlore oxides: A Os2 O6 (A=Na,K,Rb,Cs)

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Abstract

We present a first-principles study of the electronic structure and superconducting parameters of the compounds A Os2 O6 (A=Na, K, Rb, and Cs) and at ambient and applied hydrostatic pressure. We find that the sensitivity of the density of states at the Fermi energy, EF, and related electronic properties to the size of the alkali metal atom as well as to applied pressure is driven by a van Hove singularity with energy very close to EF. Further, a computation of the superconducting parameters of these materials allows us to show that the observed change of Tc, both upon substitution of the alkali metal and under applied hydrostatic pressure, can be well understood within a phonon-mediated pairing scenario. In this regard, we find that the correction to the effective electron mass due to spin fluctuations plays a significant role.

Original languageEnglish
Article number024522
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume72
Issue number2
DOIs
Publication statusPublished - Jul 1 2005

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Alkali Metals
Pressure effects
Alkali metals
Hydrostatic pressure
pressure effects
Superconductivity
hydrostatic pressure
Electronic properties
alkali metals
Oxides
superconductivity
Spin fluctuations
oxides
electron mass
Fermi level
trucks
electronics
Electronic structure
Substitution reactions
substitutes

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

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abstract = "We present a first-principles study of the electronic structure and superconducting parameters of the compounds A Os2 O6 (A=Na, K, Rb, and Cs) and at ambient and applied hydrostatic pressure. We find that the sensitivity of the density of states at the Fermi energy, EF, and related electronic properties to the size of the alkali metal atom as well as to applied pressure is driven by a van Hove singularity with energy very close to EF. Further, a computation of the superconducting parameters of these materials allows us to show that the observed change of Tc, both upon substitution of the alkali metal and under applied hydrostatic pressure, can be well understood within a phonon-mediated pairing scenario. In this regard, we find that the correction to the effective electron mass due to spin fluctuations plays a significant role.",
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AU - Freeman, Arthur J

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AB - We present a first-principles study of the electronic structure and superconducting parameters of the compounds A Os2 O6 (A=Na, K, Rb, and Cs) and at ambient and applied hydrostatic pressure. We find that the sensitivity of the density of states at the Fermi energy, EF, and related electronic properties to the size of the alkali metal atom as well as to applied pressure is driven by a van Hove singularity with energy very close to EF. Further, a computation of the superconducting parameters of these materials allows us to show that the observed change of Tc, both upon substitution of the alkali metal and under applied hydrostatic pressure, can be well understood within a phonon-mediated pairing scenario. In this regard, we find that the correction to the effective electron mass due to spin fluctuations plays a significant role.

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