dc.contributor.author | PATTERSON, CHARLES | en |
dc.date.accessioned | 2015-01-05T16:54:33Z | |
dc.date.available | 2015-01-05T16:54:33Z | |
dc.date.issued | 2005 | en |
dc.date.submitted | 2005 | en |
dc.identifier.citation | S. Galamic-Mulaomerovic and C.H. Patterson, Band structures of rare gas solids within the GW approximation, Physical Review B, 71, 2005, 195103-1 - 195103-8 | en |
dc.identifier.other | Y | en |
dc.description | PUBLISHED | en |
dc.description.abstract | Band structures for solid rare gases
s
Ne, Ar
d
have been calculated using the
GW
approximation. All electron
and pseudopotential
ab initio
calculations were performed using Gaussian orbital basis sets and the dependence
of particle-hole gaps and electron affinities on basis set and treatment of core electrons is investigated. All
electron
GW
calculations have a smaller particle-hole gap than pseudopotential
GW
calculations by up to
0.2 eV. Quasiparticle electron and hole excitation energies, valence bandwidths and electron affinities are
generally in very good agreement with those derived from optical absorption and photoemission
measurements | en |
dc.format.extent | 195103-1 | en |
dc.format.extent | 195103-8 | en |
dc.language.iso | en | en |
dc.relation.ispartofseries | Physical Review B | en |
dc.relation.ispartofseries | 71 | en |
dc.rights | Y | en |
dc.subject | Physics | en |
dc.title | Band structures of rare gas solids within the GW approximation | en |
dc.type | Journal Article | en |
dc.type.supercollection | scholarly_publications | en |
dc.type.supercollection | refereed_publications | en |
dc.identifier.peoplefinderurl | http://people.tcd.ie/cpttrson | en |
dc.identifier.rssinternalid | 17624 | en |
dc.identifier.doi | http://dx.doi.org/10.1103/PhysRevB.71.195103 | en |
dc.rights.ecaccessrights | openAccess | |
dc.identifier.orcid_id | 0000-0003-2187-5642 | en |
dc.contributor.sponsor | Enterprise Ireland | en |
dc.contributor.sponsorGrantNumber | SC/99/267 | en |
dc.contributor.sponsor | Higher Education Authority (HEA) | en |
dc.contributor.sponsorGrantNumber | PRTLI-IITAC2 | en |
dc.identifier.uri | http://hdl.handle.net/2262/72906 | |