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Acoustic Plasmons in Nickel and Its Modification upon Hydrogen Uptake
Yury M Koroteev1, Igor V Silkin2, Ivan P Chernov3
1Institute of Strength Physics and Materials Science, Siberian Branch, Russian Academy of Sciences, 634050 Tomsk, Russia.
Nanomaterials (Basel, Switzerland)
|January 8, 2023
Summary
We investigated acoustic plasmons in nickel and hydrogen-doped nickel using advanced computational methods. Hydrogen
Area of Science:
- Condensed matter physics
- Materials science
- Computational physics
Background:
- Acoustic plasmons are low-energy electronic excitations with sound-like dispersion.
- Ferromagnetic nickel exhibits unique electronic properties due to spin-polarized bands.
Purpose of the Study:
- To study acoustic plasmons in bulk ferromagnetic nickel.
- To investigate the effect of hydrogen concentration on acoustic plasmon properties in NiHx.
- To understand the disappearance of acoustic modes in paramagnetic NiH.
Main Methods:
- Ab initio linear-response time-dependent density functional theory (TDDFT).
- Systematic variation of hydrogen concentration (x) in NiHx.
- Analysis of electronic band structure and population changes.
Main Results:
- Acoustic plasmons were identified in ferromagnetic nickel, with potential spin structure variations.
- Hydrogen incorporation in NiHx modifies acoustic plasmon properties.
- Acoustic modes vanish at x=1 in paramagnetic NiH.
Conclusions:
- The evolution of acoustic plasmons is linked to hydrogen-induced changes in electronic band populations.
- TDDFT provides insights into the behavior of collective electronic excitations in magnetic materials.
