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Band gap of the III-V semiconductors as a function of lattice parameter

Caro, Miguel A.

Copyright notice 1: reuse of this figure must be accompanied by appropriate attribution to Miguel Caro's PhD thesis as follows:

Caro, Miguel A. Theory of elasticity and electric polarization effects in the group-III nitrides. PhD Thesis, University College Cork (2013).

Copyright notice 2: you may modify this figure as long as the text stating the copyright ownership on the left lower corner of the figure is not removed. This applies for the usage cases not covered by the attached CC license, e.g., commercial use, cf. "notice 3" below.

Copyright notice 3: if you wish to use this figure for commercial purposes, contact the author directly.


This figure shows the band gap \(E_\text{g}\) of the technologically important III-V binaries as a function of lattice parameter (in-plane lattice parameter in the case of WZ nitrides). Solid circles indicate a direct gap material while empty circles indicate an indirect gap. The curves show the band gap for some of the ternaries, where solid lines indicate direct gap and dashed lines indicate indirect gap. The data for the cubic III-Vs has been taken from Ref. [1], except for ZB nitrides, which is from Ref. [2]. The data for the WZ nitrides is from Wu's review paper [3]. The band gap of the ZB ternaries has been calculated as the minimum of the gaps at \(\Gamma\), \(X\) and \(L\) from the respective band gap bowing parameters provided in Refs. [1,2], using an interpolation with bowing parameter (Eq. (3.8) of Miguel Caro's thesis). The variation of \(E_\text{g}\) with composition for the WZ nitride ternaries has been calculated using the same equation from the bowing parameters recommended by Wu [3]. See Chapter 3 of Miguel Caro's thesis for a discussion on III-N bowing parameters, AlInN in particular. A linear interpolation (Végard's law) is assumed for the lattice parameters of the ternaries.
All data is for the zero-temperature limit \(T = 0\).

[1] I. Vurgaftman, J. R. Meyer, and L. R. Ram-Mohan. Band parameters for III-V compound semiconductors and their alloys. J. Appl. Phys., 89:5815, 2001.

[2] I. Vurgaftman and J. R. Meyer. Band parameters for nitrogen-containing semiconductors. J. Appl. Phys., 94:3675, 2003.

[3] J. Wu. When group-III nitrides go infrared: New properties and perspectives. J. Appl. Phys., 106:011101, 2009.

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