2024-03-29T02:10:02Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/2032152020-12-10T16:14:04Zcom_10261_115com_10261_3col_10261_368
DIGITAL.CSIC
author
Silkin, Viatcheslav M.
author
Chulkov, L. V.
author
Echenique, Pedro M.
funder
Ministerio de Economía y Competitividad (España)
funder
Eusko Jaurlaritza
funder
Tomsk State University
funder
Saint Petersburg State University
2020-03-09T11:56:37Z
2020-03-09T11:56:37Z
2019
Advances in Quantum Chemistry 80: 147-174 (2019)
http://hdl.handle.net/10261/203215
10.1016/bs.aiq.2019.07.001
http://dx.doi.org/10.13039/501100003329http://dx.doi.org/10.13039/501100003086http://dx.doi.org/10.13039/501100008566http://dx.doi.org/10.13039/501100004285
The surface excitation spectra of the B-terminated and Mg-terminated MgB(0001) surfaces are studied in the ab initio time-dependent density functional theory approach. The band structure of both these surfaces is fully included into evaluation of the surface response function using a linear response approach. We find that different surface electronic structures for these surface terminations result in very different surface collective electronic excitations. Due to a number of surface states and peculiarity of the MgB dielectric properties several surface plasmons, such as surface plasmon, interband surface plasmon, acoustic surface plasmon, and others have been found. We trace their evolution with momentum transfer change on both surfaces. Whereas at vanishing momentum transfers the plasmons in both systems can be understood considering the bulk MgB dielectric function, upon momentum increase the collective excitations present very different behavior. We relay such behavior to the differences in the surface electronic structure of the studied terminations.
closedAccess
Surface plasmon
Surface states
MgB2
Collective electronic excitations on the MgB2(0001) surfaces
artículo
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URL
https://digital.csic.es/bitstream/10261/203215/1/accesoRestringido.pdf
File
MD5
42637ae8545636bc41605c1740a9a84e
15753
application/pdf
accesoRestringido.pdf