How to obtain the Quasiparticle wave functions with yambo ?
Posted: Sat May 21, 2022 10:22 am
Dear all;
Thanks for your attentions. Could you give me some guidances to plot the quasiparticle wave functions (excited electron and hole wave functions) with yambo? The same works have done in PHYS. REV. LETT. 125, 255301 (2020) with BerkeleyGW code. Its caption is "Quasiparticle wave functions of the two split valence bands at K, and the corresponding schematicrepresentation of a double-well symmetric and antisymmetric wave functions." Some depicts are "Figure 1(a) shows the quasiparticle band structure of the trilayer system. Notably, the valence K valley is split into upper and lower bands. The upper (with energy Eh+) orresponds to the z-symmetric hole state ψh-, which includes significant hole distribution on the MoSe2l ayer. The lower (with energy Eh-) corresponds to the z-antisymmetric hole state ψh- , where these contributions are absent [Fig. 1(b)]. " The layer is a aWSe2/MoSe2/WSe2 trilayer stack.
Thank you for your discusstions !!!
Thanks for your attentions. Could you give me some guidances to plot the quasiparticle wave functions (excited electron and hole wave functions) with yambo? The same works have done in PHYS. REV. LETT. 125, 255301 (2020) with BerkeleyGW code. Its caption is "Quasiparticle wave functions of the two split valence bands at K, and the corresponding schematicrepresentation of a double-well symmetric and antisymmetric wave functions." Some depicts are "Figure 1(a) shows the quasiparticle band structure of the trilayer system. Notably, the valence K valley is split into upper and lower bands. The upper (with energy Eh+) orresponds to the z-symmetric hole state ψh-, which includes significant hole distribution on the MoSe2l ayer. The lower (with energy Eh-) corresponds to the z-antisymmetric hole state ψh- , where these contributions are absent [Fig. 1(b)]. " The layer is a aWSe2/MoSe2/WSe2 trilayer stack.
Thank you for your discusstions !!!