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Scientific paper - Original scientific paper
TDDFT study of time-dependent and static screening in graphene
Physical review B: Condensed matter and materials physics, 86 (2012), 19; 195429. https://doi.org/10.1103/PhysRevB.86.195429
Despoja, Vito; Mowbray, D. J.; Vlahović, D.; Marušić, Leonardo

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Despoja, V., Mowbray, D. J., Vlahović, D. & Marušić, L. (2012). TDDFT study of time-dependent and static screening in graphene. Physical review B: Condensed matter and materials physics, 86. (19). doi: 10.1103/PhysRevB.86.195429

Despoja, Vito, et al. "TDDFT study of time-dependent and static screening in graphene." Physical review B: Condensed matter and materials physics, vol. 86, no. 19, 2012. https://doi.org/10.1103/PhysRevB.86.195429

Despoja, Vito, D. J. Mowbray, D. Vlahović and Leonardo Marušić. "TDDFT study of time-dependent and static screening in graphene." Physical review B: Condensed matter and materials physics 86, no. 19 (2012). https://doi.org/10.1103/PhysRevB.86.195429

Despoja, V., et al. (2012) 'TDDFT study of time-dependent and static screening in graphene', Physical review B: Condensed matter and materials physics, 86(19). doi: 10.1103/PhysRevB.86.195429

Despoja V, Mowbray DJ, Vlahović D, Marušić L. TDDFT study of time-dependent and static screening in graphene. Physical review B: Condensed matter and materials physics [Internet]. 2012 [cited 2024 December 09];86(19). doi: 10.1103/PhysRevB.86.195429

V. Despoja, D. J. Mowbray, D. Vlahović and L. Marušić, "TDDFT study of time-dependent and static screening in graphene", Physical review B: Condensed matter and materials physics, vol. 86, no. 19, 2012. [Online]. Available at: https://urn.nsk.hr/urn:nbn:hr:217:544408. [Accessed: 09 December 2024]

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Metadata
Title (english)TDDFT study of time-dependent and static screening in graphene
AuthorVito Despoja
AuthorD. J. Mowbray
AuthorD. Vlahović
AuthorLeonardo Marušić
Author's institutionUniversity of Zagreb
Faculty of Science
(Department of Physics)
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Physics
Abstract (english)
Time-dependent density functional theory (TDDFT) within the random phase approximation (RPA) is used to obtain the time evolution of the induced potential produce by the sudden formation of a C 1s core hole inside a graphene monolayer, and to show how the system reaches the equilibrium potential. The characteristic oscillations in the time-dependent screening potential are related to the excitations of π and σ+π plasmons as well as the low energy 2D plasmons in doped graphene. The equilibrium RPA screened potential is compared with the DFT effective potential, yielding good qualitative agreement. The self energy of a point charge near a graphene monolayer is shown to demonstrate an image potential type behavior, Ze/(z−z0), down to very short distances (4 a.u.) above the graphene layer. Both results are found to agree near quantitatively with the DFT ground state energy shift of a Li+ ion placed near a graphene monolayer.
Languageenglish
Publication typeScientific paper - Original scientific paper
Publication statusPublished
Peer reviewPeer review - international
Publication versionPublished version
Journal titlePhysical review B: Condensed matter and materials physics
Numberingvol. 86, no. 19, 195429
p-ISSN1098-0121
e-ISSN1550-235X
DOIhttps://doi.org/10.1103/PhysRevB.86.195429
URN:NBNurn:nbn:hr:217:544408
Publication2012
Document URLhttp://link.aps.org/doi/10.1103/PhysRevB.86.195429
Type of resourceText
Access conditionsOpen access
Terms of useLicence In copyright icon
Public noteCopyright (2012) by the American Physical Society. Received 13 July 2012; published 26 November 2012.
Created on2019-11-21 12:20:20