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 language | English (US) |
|---|---|
| Pages (from-to) | 2332-2342 |
| Number of pages | 11 |
| Journal | Physical Review B |
| Volume | 22 |
| Issue number | 5 |
| DOIs | |
| State | Published - Jan 1 1980 |
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ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
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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 journal › Article
TY - JOUR
T1 - Magnetism and superconductivity in C15 compounds from self-consistent band calculations
AU - Jarlborg, T.
AU - Freeman, A. J.
PY - 1980/1/1
Y1 - 1980/1/1
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.22.2332
DO - 10.1103/PhysRevB.22.2332
M3 - Article
VL - 22
SP - 2332
EP - 2342
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 5
ER -