Nona Semana Integrada do Instituto de Física de São Carlos

Realistic g-factors and k.p parameters for III-V semiconductors from 14-band k.p Hamiltonian

Não agendado

20m

Doutorado

Palestrante

Carlos Maciel de Oliveira Bastos (Instituto de Física de São Carlos)

Descrição

Recently, we developed a procedure to determine effective mass parameters from DFT calculations that provided realistic band structures for 8 × 8 k.p ZB Hamiltonians. (1-2) Although band structures reproduced the other methods up to 20 % of the First Brillouin Zone and the calculated g-factor are in agreement with literature for such Hamiltonians, the g-factors for small band gap materials are not realistic due to the proximity of bands which are not taken into account in the usual 8 × 8 k.p Hamiltonian. In this work we go further in the analysis of the g-factors by analyzing Hamiltonians with different number of states and approximation orders. Our goal is to determine if one can theoretically achieve realistic values also for g-factors by playing with the number of bands of the Hamiltonian using the Roth approximation (3) to a higher order, using also realistic Kane P0 and P1 interband interaction parameters.

Referências

1 BASTOS, C. M. O. et al. Stability and accuracy control of k.p parameters. Semiconductor Science and Technology, v. 31, n. 10, p. 105002-1-105002-10, 2016.
2 BASTOS, C. M. O. et al. A comprehensive study of g-factors, elastic, structural and electronic properties of III-V semiconductors using hybrid-density functional theory. Journal of Applied Physics, v. 123, n. 6, p. 065702-1-065702-13, Feb. 2018.
3 ROTH, L. M.; LAX, B.; ZWERDLING, S. Theory of optical magneto-absorption effects in semiconductors. Physical Review, v. 114, n. 1, p. 90-104, Apr. 1959.