標題: Investigation of the electronic, linear and second-order nonlinear optical properties for the wide bandgap chalcopyrite ternary nitrides
作者: Tang, L. C.
Chang, Y. C.
Huang, J. Y.
Chang, C. S.
光電工程學系
Department of Photonics
關鍵字: First-Principles;chi2;frequency-dependent;second-order optical susceptibilities
公開日期: 2008
摘要: We present the results of the ab initio calculated electronic properties, first and second harmonic generation for the A(II)B(IV) N(2), (A(II)=Be, B(IV)=C, Si, Ge) compounds with chalcopyrite structure performed using the Linear Augmented Slater-Type Orbitals (LASTO) method. The second-order optical susceptibilities as functions of frequency for A(II)B(IV)N(2) are also presented. Specifically, we study the relation between the structural properties and the optical responses. Our electronic band structure and density of states (PDOS) analysis reveal that the underestirnate bandgaps of these chalcopyrite A(II)B(IV)N(2) are wide enough (from 4eV to 6eV), direct transition and mainly located at F-point. Calcultion results show this new category wide-bandgap ternary nitrides has potential applications in optoelectronics.
URI: http://hdl.handle.net/11536/30364
http://dx.doi.org/10.1117/12.791577
ISBN: 978-0-8194-7276-2
ISSN: 0277-786X
DOI: 10.1117/12.791577
期刊: PHOTONIC FIBER AND CRYSTAL DEVICES: ADVANCES IN MATERIALS AND INNOVATIONS IN DEVICE APPLICATIONS II
Volume: 7056
Appears in Collections:Conferences Paper


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