Electronic structure of Si-rich a-Si1-xCxHy alloys

Xanthakis, JP

dc.contributor.author	Xanthakis, JP	en
dc.date.accessioned	2014-03-01T01:09:52Z
dc.date.available	2014-03-01T01:09:52Z
dc.date.issued	1994	en
dc.identifier.issn	0953-8984	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/11220
dc.subject.classification	Physics, Condensed Matter	en
dc.subject.other	SILICON-CARBON ALLOYS	en
dc.subject.other	AMORPHOUS-SILICON	en
dc.subject.other	OPTICAL-PROPERTIES	en
dc.subject.other	BAND-STRUCTURE	en
dc.subject.other	FILMS	en
dc.subject.other	PHOTOELECTRON	en
dc.subject.other	SPECTROSCOPY	en
dc.subject.other	ABSORPTION	en
dc.title	Electronic structure of Si-rich a-Si1-xCxHy alloys	en
heal.type	journalArticle	en
heal.identifier.primary	10.1088/0953-8984/6/48/007	en
heal.identifier.secondary	http://dx.doi.org/10.1088/0953-8984/6/48/007	en
heal.identifier.secondary	007	en
heal.language	English	en
heal.publicationDate	1994	en
heal.abstract	We have calculated the electronic structure of amorphous hydrogenated Si-rich Si1-xC(x)H(y) alloys paying particular attention to methylated Si, i.e. alloys produced at low deposition power with CH3 configurations only and no C-C bonds. The configurational averaging method we use produces densities of states (DOS) which are not only a function of the compositional indices but also of the short-range order (SRO) parameters. By varying the DOS with respect to these parameters we are led to deduce the origin of all the experimental XPS peaks including the one at - 14 eV which is assigned to Si(s) and C(s) orbitals in Si-C bonds. The calculated band gaps of the alloys produced at high deposition power are in good agreement with experiment and tentatively point to a small to medium degree of disorder. On the other hand the calculated band gaps of methylated Si is in remarkable agreement of x < 0.25 when the CH3 configuration is known to prevail but deviates considerably from the very high recently published experimental band gaps near x approximately 0.4 suggesting that the model of methylated Si may require modification for these values of x.	en
heal.publisher	IOP PUBLISHING LTD	en
heal.journalName	Journal of Physics: Condensed Matter	en
dc.identifier.doi	10.1088/0953-8984/6/48/007	en
dc.identifier.isi	ISI:A1994PV22600007	en
dc.identifier.volume	6	en
dc.identifier.issue	48	en
dc.identifier.spage	10457	en
dc.identifier.epage	10465	en