Interband transitions of wide‐band‐gap ternary pnictide BeCN 2  in the chalcopyrite structure | Zendy

Chiker F. | Zendy; Abbar B. | Zendy; Bouhafs B. | Zendy; Ruterana P. | Zendy

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Interband transitions of wide‐band‐gap ternary pnictide BeCN 2 in the chalcopyrite structure

Author(s) -

Chiker F.,

Abbar B.,

Bouhafs B.,

Ruterana P.

Publication year - 2004

Publication title -

physica status solidi (b)

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.51

H-Index - 109

eISSN - 1521-3951

pISSN - 0370-1972

DOI - 10.1002/pssb.200301881

Subject(s) - pnictogen , ternary operation , band gap , electronic band structure , direct and indirect band gaps , chalcopyrite , lattice constant , condensed matter physics , reflectivity , spectral line , materials science , chemistry , crystallography , diffraction , optics , physics , superconductivity , quantum mechanics , copper , computer science , metallurgy , programming language

Equilibrium lattice constants, bulk modulus, electronic band structure, and different optical transitions calculated by means of the full potential linearized augmented plane wave method are presented for BeCN 2 in the chalcopyrite structure. Analysis of the band structure suggests a pseudo‐direct band gap, which refers to an indirect band gap in binary compounds. We also discuss the relationships of the principal band gaps of the c ‐BN zinc‐blende analogs. We investigate the assignment of the different optical transitions that are discussed in more detail from the reflectivity spectra. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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