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Part 1: Document Description
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Citation |
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Title: |
Replication data for 'Anomalous delocalization of resonant states in graphene \& the vacancy magnetic moment' |
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Identification Number: |
doi:10.13130/RD_UNIMI/EIMQRQ |
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Distributor: |
UNIMI Dataverse |
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Date of Distribution: |
2023-05-11 |
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Version: |
3 |
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Bibliographic Citation: |
Martinazzo, Rocco, 2023, "Replication data for 'Anomalous delocalization of resonant states in graphene \& the vacancy magnetic moment'", https://doi.org/10.13130/RD_UNIMI/EIMQRQ, UNIMI Dataverse, V3 |
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Citation |
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Title: |
Replication data for 'Anomalous delocalization of resonant states in graphene \& the vacancy magnetic moment' |
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Identification Number: |
doi:10.13130/RD_UNIMI/EIMQRQ |
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Authoring Entity: |
Martinazzo, Rocco (Università degli Studi di Milano) |
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Distributor: |
UNIMI Dataverse |
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Access Authority: |
Martinazzo, Rocco |
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Depositor: |
Martinazzo, Rocco |
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Date of Deposit: |
2023-05-11 |
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Date of Distribution: |
2023-05-11 |
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Holdings Information: |
https://doi.org/10.13130/RD_UNIMI/EIMQRQ |
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Study Scope |
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Keywords: |
Chemistry, Physics, First-principles |
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Abstract: |
Support files for the first-principles calculations on anomalous delocalization of resonant states in graphene. |
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Kind of Data: |
ASCII files readable with common editors, png images and agr files (require xmgrace) |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Identification Number: |
10.1088/2516-1075/acdbf4 |
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Bibliographic Citation: |
Leccese, M., & Martinazzo, R. (2023). Anomalous delocalization of resonant states in graphene and the vacancy magnetic moment. Electronic Structure. |
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Label: |
cube.tgz |
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Text: |
Tar-gzipped archive containing the cube files for the analyzed wavefunctions for a single vacancy in a 12x12, 13x13 and 14x14 supercell. |
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Notes: |
application/x-gzip |
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Label: |
graphs.tgz |
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Text: |
Tar-gzipped archive containing xmgrace files with band structures and isosurfaces of wavefunctions |
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Notes: |
application/x-gzip |
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Label: |
inputs.tgz |
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Text: |
Tar-gzipped archive containing SIESTA input files (.fdf) for calculations of single-C vacancy in a 12x12, 13x13 and 14x14 supercell, along with data for OH and F adatoms |
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Notes: |
application/x-gzip |
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Label: |
README.txt |
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Notes: |
text/plain |