Please use this identifier to cite or link to this item:
https://hdl.handle.net/20.500.14279/24270
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Zacharias, Marios | - |
dc.contributor.author | Seiler, Hélène | - |
dc.contributor.author | Caruso, Fabio | - |
dc.contributor.author | Zahn, Daniela | - |
dc.contributor.author | Giustino, Feliciano | - |
dc.contributor.author | Kelires, Pantelis C. | - |
dc.contributor.author | Ernstorfer, Ralph | - |
dc.date.accessioned | 2022-02-17T07:33:04Z | - |
dc.date.available | 2022-02-17T07:33:04Z | - |
dc.date.issued | 2021-11-12 | - |
dc.identifier.citation | Physical Review Letters, 2021, vol. 127, no. 20, articl. no. 207401 | en_US |
dc.identifier.issn | 10797114 | - |
dc.identifier.uri | https://hdl.handle.net/20.500.14279/24270 | - |
dc.description.abstract | Inelastic scattering experiments are key methods for mapping the full dispersion of fundamental excitations of solids in the ground as well as nonequilibrium states. A quantitative analysis of inelastic scattering in terms of phonon excitations requires identifying the role of multiphonon processes. Here, we develop an efficient first-principles methodology for calculating the all-phonon quantum mechanical structure factor of solids. We demonstrate our method by obtaining excellent agreement between measurements and calculations of the diffuse scattering patterns of black phosphorus, showing that multiphonon processes play a substantial role. The present approach constitutes a step towards the interpretation of static and time-resolved electron, x-ray, and neutron inelastic scattering data. | en_US |
dc.format | en_US | |
dc.language.iso | en | en_US |
dc.relation.ispartof | Physical Review Letters | en_US |
dc.rights | © American Physical Society | en_US |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids | en_US |
dc.type | Article | en_US |
dc.collaboration | Cyprus University of Technology | en_US |
dc.collaboration | Fritz Haber Institute of the Max Planck Society | en_US |
dc.collaboration | Christian-Albrecht University of Kiel | en_US |
dc.collaboration | University of Texas at Austin | en_US |
dc.collaboration | Technische Universität Berlin | en_US |
dc.subject.category | Materials Engineering | en_US |
dc.journals | Subscription | en_US |
dc.country | Cyprus | en_US |
dc.country | Germany | en_US |
dc.country | United States | en_US |
dc.subject.field | Engineering and Technology | en_US |
dc.publication | Peer Reviewed | en_US |
dc.identifier.doi | 10.1103/PhysRevLett.127.207401 | en_US |
dc.identifier.pmid | 34860053 | - |
dc.identifier.scopus | 2-s2.0-85119094674 | - |
dc.identifier.url | https://api.elsevier.com/content/abstract/scopus_id/85119094674 | - |
dc.relation.issue | 20 | en_US |
dc.relation.volume | 127 | en_US |
cut.common.academicyear | 2020-2021 | en_US |
item.fulltext | No Fulltext | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | none | - |
item.openairecristype | http://purl.org/coar/resource_type/c_6501 | - |
item.openairetype | article | - |
item.languageiso639-1 | en | - |
crisitem.journal.journalissn | 1079-7114 | - |
crisitem.journal.publisher | American Physical Society | - |
crisitem.author.dept | Department of Mechanical Engineering and Materials Science and Engineering | - |
crisitem.author.dept | Department of Mechanical Engineering and Materials Science and Engineering | - |
crisitem.author.faculty | Faculty of Engineering and Technology | - |
crisitem.author.faculty | Faculty of Engineering and Technology | - |
crisitem.author.orcid | 0000-0002-7052-5684 | - |
crisitem.author.orcid | 0000-0002-0268-259X | - |
crisitem.author.parentorg | Faculty of Engineering and Technology | - |
crisitem.author.parentorg | Faculty of Engineering and Technology | - |
Appears in Collections: | Άρθρα/Articles |
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