Magnetism and superconductivity in C15 compounds from self-consistent band calculations

T. Jarlborg*, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticle

133 Citations (Scopus)

Abstract

All-atom all-electron self-consistent semirelativistic linear muffin-tin orbital energy-band studies are reported for TiBe2, ZrZn2 (at ambient and high pressures), the high-Tc superconductor ZrV2, and the ultralow-Tc superconductor YAl2. Total and partial (by atom type and l values) density of states, Stoner-like parameters, electron-phonon coupling parameter and superconducting transition temperatures Tc (determined within the rigid muffin-tin approximation and McMillan's strong coupling theory with and without paramagnon contributions), and their behavior under applied pressure are used to discuss the origin of their observed magnetism and/or superconductivity. From an analysis of the results, we suggest possible high-Tc superconductivity at high pressure for ZrZn2, and its unlikely occurrence for TiBe2 unless dominant soft phonon modes exist.

Original languageEnglish (US)
Pages (from-to)2332-2342
Number of pages11
JournalPhysical Review B
Volume22
Issue number5
DOIs
StatePublished - Jan 1 1980

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Magnetism
Superconductivity
tin
superconductivity
Tin
Superconducting materials
energy bands
atoms
Atoms
electrons
Electrons
transition temperature
occurrences
rocks
orbitals
Band structure
Superconducting transition temperature
approximation

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Jarlborg, T. ; Freeman, A. J. / Magnetism and superconductivity in C15 compounds from self-consistent band calculations. In: Physical Review B. 1980 ; Vol. 22, No. 5. pp. 2332-2342.
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Magnetism and superconductivity in C15 compounds from self-consistent band calculations. / Jarlborg, T.; Freeman, A. J.

In: Physical Review B, Vol. 22, No. 5, 01.01.1980, p. 2332-2342.

Research output: Contribution to journalArticle

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