Electronic structure and derived linear and nonlinear optical properties of chalcopyrites

Walter R L Lambrecht, Sergey Rashkeev, Sukit Limpijumnong, Benjamin Segall

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The electronic band structures were calculated for a number of chalcopyrites in both the II-IV-V 2 and I-III-VI 2 families using the linear muffin-tin orbital method. From these band structures, the second harmonic generation coefficients were calculated using a recently developed methodology in which a separation is made of inter- and intraband contributions. We found that the high value of d 36 in CdGeAs 2 is in large part due to the fact, that in this material, unlike in the other chalcopyrites, almost no compensation occurs between inter- and intraband contributions, the former one being unusually small. For the case of ZnGeP 2, a detailed investigation of the band structure, reveals that it has an indirect band gap rather than a pseudodirect one. The implications of this for the interpretation of the optical spectra are discussed. Finally, for the I-III-VI 2 materials, we find that the Te based materials have far higher d 36 than the selenides. Combined with their potential for non-critical phase matching, this makes AgGaTe 2 an interesting compound.

Original languageEnglish
Title of host publicationMaterials Research Society Symposium - Proceedings
PublisherMaterials Research Society
Pages385-396
Number of pages12
Volume607
Publication statusPublished - 2000
Externally publishedYes
EventThe 1999 MRS Fall Meeting - Symposium OO 'Infrared Applications of Semiconductors III' - Boston, MA, USA
Duration: 29 Nov 19992 Dec 1999

Other

OtherThe 1999 MRS Fall Meeting - Symposium OO 'Infrared Applications of Semiconductors III'
CityBoston, MA, USA
Period29/11/992/12/99

Fingerprint

Band structure
Electronic structure
Optical properties
Phase matching
Tin
Harmonic generation
Energy gap
chalcopyrite
Compensation and Redress

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

Cite this

Lambrecht, W. R. L., Rashkeev, S., Limpijumnong, S., & Segall, B. (2000). Electronic structure and derived linear and nonlinear optical properties of chalcopyrites. In Materials Research Society Symposium - Proceedings (Vol. 607, pp. 385-396). Materials Research Society.

Electronic structure and derived linear and nonlinear optical properties of chalcopyrites. / Lambrecht, Walter R L; Rashkeev, Sergey; Limpijumnong, Sukit; Segall, Benjamin.

Materials Research Society Symposium - Proceedings. Vol. 607 Materials Research Society, 2000. p. 385-396.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Lambrecht, WRL, Rashkeev, S, Limpijumnong, S & Segall, B 2000, Electronic structure and derived linear and nonlinear optical properties of chalcopyrites. in Materials Research Society Symposium - Proceedings. vol. 607, Materials Research Society, pp. 385-396, The 1999 MRS Fall Meeting - Symposium OO 'Infrared Applications of Semiconductors III', Boston, MA, USA, 29/11/99.
Lambrecht WRL, Rashkeev S, Limpijumnong S, Segall B. Electronic structure and derived linear and nonlinear optical properties of chalcopyrites. In Materials Research Society Symposium - Proceedings. Vol. 607. Materials Research Society. 2000. p. 385-396
Lambrecht, Walter R L ; Rashkeev, Sergey ; Limpijumnong, Sukit ; Segall, Benjamin. / Electronic structure and derived linear and nonlinear optical properties of chalcopyrites. Materials Research Society Symposium - Proceedings. Vol. 607 Materials Research Society, 2000. pp. 385-396
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