LDA-1/2 is a novel self-energy correction scheme for semiconductor band structure calculation, developed by Prof. L. G. Ferreira et al. in 2008. It can efficiently resolve the band gap underestimation problem caused by the local density approximation (LDA) in density functional theory (DFT).
   L. G. Ferreira, M. Marques, and L. K. Teles, Physical Review B 78, 125116 (2008). shLDA-1/2, shGGA-1/2, shLDA-x-y and shGGA-x-y are LDA-1/2-like methods designed specially for covalent semiconductors, including bulk and 2D semiconductors. They were developed by Prof. K.-H. Xue et al. in 2018.
   K.-H. Xue, J.-H. Yuan, L. R. C. Fonseca, and X.-S. Miao, Computational Materials Science 153, 493 (2018).
   G.-Q. Mao, Z.-Y. Yan, K.-H. Xue, et al., Journal of Physics: Condensed Matter 34, 403001 (2022).
GGA-1/2 is similar to LDA-1/2, also developed by Prof. L. G. Ferreira et al. in 2008. Our site affords a series of self-energy potentials for LDA-1/2 and GGA-1/2, including various exchange-correlation functional (XC) flavors.


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