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Electronic structure of MgCNi[sub 3−x]TM[sub x] (TM=Cu,Co,Mn)
Electronic structure of MgCNi[sub 3−x]TM[sub x] (TM=Cu,Co,Mn)
- Source :
- Journal of Applied Physics. 91:8504
- Publication Year :
- 2002
- Publisher :
- AIP Publishing, 2002.
-
Abstract
- The effects on the electronic structure and magnetic property of the Ni site substitution in nonoxide perovskite superconductor MgCNi3 are studied by using density functional calculations. A sharp high peak of Ni d density of states just lies below the Fermi energy in pure MgCNi3. Co-doping results in the onset of ferromagnetism at x=0.083. However, the little energy gain as well as small magnetic moment per atom indicate the weak itinerant ferromagnetism. The strong ferromagnetic spin fluctuation in MgCNi3−xCox leads to quench bulk superconductivity, while the Mn atom forms a local magnetic moment of 1.06 μB at x=0.042 which suppresses superconductivity more seriously than Co does in the low doping case. Cu doping can be well accounted for by the rigid band model, which reduces the density of states at the Fermi level and the Tc.
- Subjects :
- Superconductivity
Materials science
Condensed matter physics
Magnetic moment
Fermi level
General Physics and Astronomy
Rigid-band model
Fermi energy
symbols.namesake
Ferromagnetism
Condensed Matter::Superconductivity
symbols
Density of states
Condensed Matter::Strongly Correlated Electrons
Density functional theory
Subjects
Details
- ISSN :
- 00218979
- Volume :
- 91
- Database :
- OpenAIRE
- Journal :
- Journal of Applied Physics
- Accession number :
- edsair.doi...........54c7b18458f7951215ddddc5891ca99d
- Full Text :
- https://doi.org/10.1063/1.1456445