Quasiparticle and Optical Properties of Solids and Nanostructures: The GW-BSE Approach
We present a review of recent progress in the first-principles study of the spectroscopic properties of solids and nanostructures employing a many-body Green’s function approach based on the GW approximation to the electron self-energy. The approach has been widely used to investigate the excitedstate properties of condensed matter as probed by photoemission, tunneling, optical, and related techniques. In this article, we first give a brief overview of the theoretical foundations of the approach, then present a sample of applications to systems ranging from extended solids to surfaces to nanostructures and discuss some possible ideas for further developments.
KeywordsOptical Absorption Spectrum Local Density Approximation Vertex Correction Quasiparticle Excitation Excitonic Effect
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- E.K.U. Gross, J. Dobson, and M. Petersilka, “Density functional theory of timedependent phenomena,” In Density Functional Theory II, R.F. Nalewajski (ed.), Topics in Current Chemistry, vol. 181, Springer, Berlin, p. 81, 1986.Google Scholar
- L. Hedin and S. Lundqvist, “Effects of electron-electron and electron-phonon interactions on the one electron states of solids,” In: H. Ehrenreich, F. Seitz, and D. Turnbull (eds.), Solid State Physics, Academic Press, New York, vol. 23, p. 1, 1969.Google Scholar
- S.G. Louie, “First-principles theory of electron excitation energies in solids, surfaces, and defects,” In: C.Y. Fong (ed.), Topics in Computational Materials Science, World Scientific, Singapore, p. 96, 1997.Google Scholar
- M.J. O’Connell, S.M. Bachilo, C.B. Huffman, V.C. Moore, M.S. Strano, E.H. Haroz, K.L. Rialon, P.J. Boul, W.H. Noon, C. Kittrell, J. Ma, R.H. Hauge, R.B. Weisman, and R.E. Smalley, “Band gap fluorescence from individual single-walled carbon nanotubes,” Science, 297, 593, 2002.CrossRefADSGoogle Scholar