Speaker
Dr
Hermann Azemtsa Donfack
(University of South Africa)
Abstract content <br> (Max 300 words)
A method based on the tight-binding linear muffin-tin orbital (TB-LMTO) and the Quasiparticle Self-consistent GW (QSGW) approximation is discussed. The goal is to obtain accurate electronic and optical properties of semiconductor alloys.
In this new approach, the parameters of the TB-LMTO Hamiltonian are used to fit the difference in the QSGW self-energies and the LDA exchange-correlation potentials. As such, the method possesses the accuracy of the QSGW approximation and the efficiency of the TB-LMTO.
We use the new Hamiltonian to interpret the optical transitions in Si-Ge-Sn alloys.
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Yes
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Primary author
Dr
Hermann Azemtsa Donfack
(University of South Africa)
Co-author
Prof.
Mark van Schilfgaarde
(King's College London)
