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Magnetism of Gadolinium: A First-Principles Perspective
L Oroszlány1,2, A Deák1, E Simon1
1Department of Theoretical Physics, Budapest University of Technology and Economics, Budafoki út 8, H-1111 Budapest, Hungary.
Physical Review Letters
|September 16, 2015
Summary
Finite temperatures significantly alter gadolinium metal's electronic structure. Local spin moments persist in the paramagnetic phase, challenging simple magnetism models.
Area of Science:
- Solid State Physics
- Materials Science
- Condensed Matter Physics
Background:
- Understanding finite temperature effects on electronic structure is crucial for materials science.
- Gadolinium metal exhibits complex magnetic properties, including ferromagnetic and paramagnetic phases.
- Previous studies often simplified the behavior of electronic states at finite temperatures.
Purpose of the Study:
- To investigate the impact of finite temperatures on the electronic structure of bulk and surface gadolinium.
- To analyze the spectral density of states in both ferromagnetic and paramagnetic phases.
- To clarify the nature of spin splitting and local spin moments in gadolinium.
Main Methods:
- Calculation of the spectral density of states (DOS).
- Comparison of results for the ferromagnetic ground state and the paramagnetic phase.
- Analysis of electronic structure at both the bulk and surface of gadolinium metal.
Main Results:
- Calculated spectral properties align well with experimental photoemission data.
- Observed vanishing spin splitting in the conduction band during the paramagnetic phase.
- Identified finite local spin moments in both bulk and surface gadolinium, even without significant spin splitting.
Conclusions:
- The formation of local spin moments is attributed to density of states asymmetry, not simple Stoner behavior.
- Vanishing spin splitting is not a reliable indicator of Stoner-like magnetism in gadolinium.
- This study provides a more nuanced understanding of finite temperature magnetism in metals.
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