Structural properties of group-III nitrides
DOI:
https://doi.org/10.56053/6.2.55Keywords:
InN, Structural, ElectronicAbstract
We present first-principles calculations of structural and electronic properties of group-III nitrides in wurtzite and zinc-blende structure. For a most accurate treatment of these wide-band-gap semiconductors within local density approximation we employ our self-interaction- and relaxation-corrected pseudopotentials together with Gaussian-orbital basis sets. The results for BN, AlN, GaN, and InN are in good agreement with a host of experimental data yielding a consistent theoretical description of this class of technologically important semi- conductor compounds. [S0163-1829(97)05119-9]
References
-[1] M.Hermann, F.Bansil, H.A.Hunter, Exp. Theo. NANOTECHNOLOGY 5 (2021) 89
-[2] S. Amitha1, N. Karina1, Z. Ooi, Exp. Theo. NANOTECHNOLOGY 5 (2021) 99
-[3] T. Doletay, I. Ahmad, Exp. Theo. NANOTECHNOLOGY 5 (2021) 109
-[4] V. Fiorentini, M. Methfessel, and M. Scheffler, Phys. Rev. B 47 (1993) 13 353
-[5] N. E. Christensen and I. Gorczyca, Phys. Rev. B 50 (1994) 4397
-[6] W. R. L. Lambrecht, B. Segall, S. Strite, G. Martin, A. Agarwal, H. Morkoc, A. Rockett, Phys. Rev. B 50 (1994) 14 155
-[7] Y.-N. Xu and W. Y. Ching, Phys. Rev. B 48 (1993) 4335
-[8] S. Bei der Kellen and A. J. Freeman, Phys. Rev. B 54 (1996) 11 187
-[9] A. F. Wright and J. S. Nelson, Phys. Rev. B 50 (1994) 2159
-[10] M. P. Surh, S. G. Louie, and M. L. Cohen, Phys. Rev. B 43 (1991) 9126
-[11] A. Rubio, J. L. Corkill, M. L. Cohen, E. L. Shirley, and S. G. Louie, Phys. Rev. B 48, (1993) 11 810
-[12] M. Palummo, L. Reining, R. W. Godby, C. M. Bertoni, and N. Bornsen, Europhys. Lett. 26 (1994) 607
- [13] R. Pandey, J. E. Jaffe, and N. M. Harrison, J. Phys. Chem. Solids 55 (1994) 1357
- [14] D. Simoes, D. Silva, D. Romero, Exp. Theo. NANOTECHNOLOGY 5 (2021) 121
- [15] D. Vogel, P. Kru¨ger, J. Pollmann, Phys. Rev. B 54 (1996) 5495
