Ab initio calculations of surface phonons of the hydrogen-terminated Si(110)-(1 x 1) surface

Tütüncü, Hüseyin Murat; Karaca, Ertuğrul; G. P. Srivastava

dc.contributor.authors	Tutuncu, HM; Karaca, E; Srivastava, GP;
dc.date.accessioned	2020-01-20T08:02:25Z
dc.date.available	2020-01-20T08:02:25Z
dc.date.issued	2016
dc.identifier.citation	Tutuncu, HM; Karaca, E; Srivastava, GP; (2016). Ab initio calculations of surface phonons of the hydrogen-terminated Si(110)-(1 x 1) surface. SURFACE SCIENCE, 647, 25-17
dc.identifier.issn	0039-6028
dc.identifier.uri	https://hdl.handle.net/20.500.12619/32219
dc.identifier.uri	https://doi.org/10.1016/j.susc.2015.12.003
dc.description.abstract	A first-principles study, using a linear-response approach based on the pseudopotential method and the generalised gradient approximation, has been made to examine the phonon spectrum of the hydrogen-terminated Si(110)-(1 x 1) surface. The calculated results compare very well with the results determined from a recent high-resolution electron-energy-loss spectroscopy measurement. In particular, the energy locations and polarization characteristics of the H-Si bond bending and H-Si stretching surface phonon modes have been determined and discussed in detail. The zone-centre splitting of the two H-Si stretching surface phonon modes is found to be 2.4 meV, which compares very well with the experimental value of 1.9 meV. (C) 2015 Elsevier B.V. All rights reserved.
dc.language	English
dc.publisher	ELSEVIER SCIENCE BV
dc.subject	Physics
dc.title	Ab initio calculations of surface phonons of the hydrogen-terminated Si(110)-(1 x 1) surface
dc.type	Article
dc.identifier.volume	647
dc.identifier.startpage	17
dc.identifier.endpage	25
dc.contributor.department	Sakarya Üniversitesi/Fen-Edebiyat Fakültesi/Fizik Bölümü
dc.contributor.saüauthor	Tütüncü, Hüseyin Murat
dc.contributor.saüauthor	Karaca, Ertuğrul
dc.relation.journal	SURFACE SCIENCE
dc.identifier.wos	WOS:000378967400004
dc.identifier.doi	10.1016/j.susc.2015.12.003
dc.identifier.eissn	1879-2758
dc.contributor.author	Tütüncü, Hüseyin Murat
dc.contributor.author	Karaca, Ertuğrul
dc.contributor.author	G. P. Srivastava