2004/01/31 by Catalin D. Spataru, Lorin X. Benedict, Steven G. Louie · 53 citations
Physics and Astronomy · #Ab initio #Ab initio quantum chemistry methods #Advanced Chemical Physics Studies #Atomic physics #Band gap #Condensed matter physics #Electron #Electronic structure #Excitation #Excited state #GW approximation #Laser-Matter Interactions and Applications #Materials science #Molecule #Physics #Quantum mechanics #Quasiparticle #Renormalization #Semiconductor Quantum Structures and Devices #Semimetal #Superconductivity #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.69.205204
published in Physical Review B 69(20) (American Physical Society) · 14 pages, 7 figures, submitted Phys. Rev. B
openalex publication_date 2004/05/25 · arxiv created 2004/08/12 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We present ab initio quasiparticle self-energy calculations in crystalline GaAs for cases of intense electronic excitation (\ensuremath∼10% of valence electrons excited into conduction band), relevant for high-intensity ultrashort pulsed laser experiments. Calculations are performed using an out-of-equilibrium generalization of the GW approximation based on the Keldysh Green's function approach. Our results indicate that while the quasiparticle band gap is a sensitive function of the amount of excitation, it is not possible to induce complete band-gap closure in this system by purely electronic means.