Semiconductor alloys for optoelectronic applications: ab initio modeling

Pawel Scharoch; Maciej Winiarski; Maciej Polak

doi:10.1117/12.2030965

16 October 2013 Semiconductor alloys for optoelectronic applications: ab initio modeling

Pawel Scharoch, Maciej Winiarski, Maciej Polak

Proceedings Volume 8901, Optics and Photonics for Counterterrorism, Crime Fighting and Defence IX; and Optical Materials and Biomaterials in Security and Defence Systems Technology X; 890112 (2013) https://doi.org/10.1117/12.2030965
Event: SPIE Security + Defence, 2013, Dresden, Germany

Abstract

Semiconductor alloys, for example group III metal nitrides and phosphides, such as A_xB_1-xN or AN_xP_1−x (where A,B metal atoms: Al, In, Ga) have been materials of interest for optoelectronic applications (light emitting diodes, lasers, detectors) for more then two decades. The potential possibility of tuning (via variation of the composition) of the band-gap and the lattice constant make them particularly attractive. The idea of tuning the band-gap (from infrared to ultraviolet), although simple in principle, requires solving a variety of practical problems, like lattice constants misfit of parent compounds, associated with atom sizes, thermodynamically determined phase segregation, system stability, band-gap bowing, efficiency of radiative transitions etc. The ab initio modeling is of particular importance in the field, since it allows to predict in a purely theoretical way the physical limits for various properties. It also provides a hint in which direction, technologically and experimentally, to proceed. We present the basic ideas behind the ab initio modeling and, as an example, the calculation results of structural, elastic and the electronic properties of chosen alloys are presented.

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Pawel Scharoch, Maciej Winiarski, and Maciej Polak "Semiconductor alloys for optoelectronic applications: ab initio modeling", Proc. SPIE 8901, Optics and Photonics for Counterterrorism, Crime Fighting and Defence IX; and Optical Materials and Biomaterials in Security and Defence Systems Technology X, 890112 (16 October 2013); https://doi.org/10.1117/12.2030965

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KEYWORDS

Chemical species

Gallium nitride

Optoelectronics

Semiconductors

Metals

Gallium

Indium nitride

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