Sopu, Daniel ; Kotakoski, Jani ; Albe, Karsten (2011)
Finite-size effects in the phonon density of states of nanostructured germanium: A comparative study of nanoparticles, nanocrystals, nanoglasses, and bulk phases.
In: Physical Review B, 83 (24)
doi: 10.1103/PhysRevB.83.245416
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
Finite-size effects in the phonon density of states (PDOS) of nanostructured materials (nanoparticles, nanocrystals, embedded nanoparticles, and nanoglasses) are systematically studied by means of molecular dynamics simulations, where germanium was used as representative reference material. By comparing with the PDOS of single crystalline and amorphous structures, the physical origins of additional or vanishing vibrational modes or frequency shifts were identified. Our findings are discussed in terms of phonon confinement effects, structural disorder, and surface stresses and provide a general view on the interplay of nanostructural features and lattice vibrations.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2011 |
| Autor(en): | Sopu, Daniel ; Kotakoski, Jani ; Albe, Karsten |
| Art des Eintrags: | Bibliographie |
| Titel: | Finite-size effects in the phonon density of states of nanostructured germanium: A comparative study of nanoparticles, nanocrystals, nanoglasses, and bulk phases |
| Sprache: | Englisch |
| Publikationsjahr: | 22 Juni 2011 |
| Verlag: | American Physical Society |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Physical Review B |
| Jahrgang/Volume einer Zeitschrift: | 83 |
| (Heft-)Nummer: | 24 |
| DOI: | 10.1103/PhysRevB.83.245416 |
| URL / URN: | http://prb.aps.org/abstract/PRB/v83/i24/e245416 |
| Kurzbeschreibung (Abstract): | Finite-size effects in the phonon density of states (PDOS) of nanostructured materials (nanoparticles, nanocrystals, embedded nanoparticles, and nanoglasses) are systematically studied by means of molecular dynamics simulations, where germanium was used as representative reference material. By comparing with the PDOS of single crystalline and amorphous structures, the physical origins of additional or vanishing vibrational modes or frequency shifts were identified. Our findings are discussed in terms of phonon confinement effects, structural disorder, and surface stresses and provide a general view on the interplay of nanostructural features and lattice vibrations. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung |
| Hinterlegungsdatum: | 07 Jul 2011 07:19 |
| Letzte Änderung: | 05 Mär 2013 09:50 |
| PPN: | |
| Sponsoren: | The authors acknowledge the financial support of the Deutsche Forschungsgemeinschaft (DFG) through project Al-578-6., A DAAD-PPP travel grant is also acknowledged. Computing time was made available at HHLR Frankfurt and Darmstadt, aswell as by CSC Julich. |
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