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Band structure and optical properties of CuInSe2
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Flerskalig materialmodellering.
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Flerskalig materialmodellering.ORCID-id: 0000-0002-9050-5445
2014 (engelsk)Konferansepaper, Publicerat paper (Fagfellevurdert)
Abstract [en]

In this work, the electronic structure and dielectric function of chalcopyrite CuInSe2 are presented. The results are based on the full-potential linearized augmented plane wave (FPLAPW) method using the generalized gradient approximation (GGA) plus an onsite Coulomb interaction U of the Cu d states. The dielectric constant, absorption coefficient and refractive index are explored by means of optical response. The spin-orbit coupling effect is considered for the calculations of electronic structure and optical properties. We find that the results based on our calculation method have good agreement compared with experimental and other earlier simulations results.

sted, utgiver, år, opplag, sider
2014. s. 254-258
Serie
Advanced Materials Research, ISSN 1022-6680 ; 894
Emneord [en]
Absorption coefficient, Band structure, Chalcopyrite, CuInse2, Dielectric function, Refractive index, Solar cells, Spin-orbit coupling, Absorption co-efficient, CuInse2, Dielectric functions, Spin-orbit couplings, Electronic structure, Materials science
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Identifikatorer
URN: urn:nbn:se:kth:diva-168350DOI: 10.4028/www.scientific.net/AMR.894.254Scopus ID: 2-s2.0-84903368425ISBN: 9783038350323 (tryckt)OAI: oai:DiVA.org:kth-168350DiVA, id: diva2:817473
Konferanse
2014 4th International Conference on Advanced Materials Research, ICAMR 2014; Macau; China; 22 January 2014 through 23 January 2014
Merknad

QC 20150605

Tilgjengelig fra: 2015-06-05 Laget: 2015-06-02 Sist oppdatert: 2017-05-23bibliografisk kontrollert

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