First-principles calculation has become an indispensable methodology in revealing the working principles of nanoscale electronic devices, but ultra-large supercells are usually required in modeling the devices with critical metal/dielectric interfaces. Traditional density functional theory within the generalized gradient approximation (GGA) suffers from the inaccurate band gap problem when metal oxides are present, but they serve as the core component in resistive random access memory (RRAM), which is a promising path for novel high speed non-volatile memories. To obtain improved oxide band gaps, we applied the efficient GGA-1/2 method for self-energy correction, whose computational load is at the same level as standard GGA. In particular, we have investigated the influence of exchange-correlation functional flavors on the GGA-1/2 band structures, taking four important binary oxide RRAM materials (α-Al 2 O 3 , r-TiO 2 , m-ZrO 2 and m-HfO 2 ) as benchmark examples. Five GGA functionals (PBE, PBEsol, PW91, revPBE and AM05) were considered and their band structures were compared in detail. We have found that the performance of GGA-1/2 is comparable to state-ofthe-art GW and generally superior to the HSE06 hybrid functional. Among the five GGA functionals, PBEsol yields the best results in general. In addition, the applicability of a single self-energy potential for various GGA-1/2 flavors is discussed. Our work provides a guide to the GGA flavor selection, when applying the GGA-1/2 method to metal oxides. manifest a transition from a high resistance state (HRS) to a low resistance state (LRS) upon the formation of conductive filaments (CFs) connecting the two electrodes. Yet, at present there are still controversies on the exact composition and geometry of the CFs [19][20][21][22]. Since it is difficult to directly observe and determine experimentally the exact composition of the CFs within the dielectric media, theoretical approaches can be particularly helpful.Among atomistic simulation techniques, ab initio calculations based on density functional theory (DFT) [23] are highly successful in the prediction of total energies, bond lengths, and vibration frequencies. However, DFT within local density approximation (LDA) or generalized gradient approximation (GGA) severely underestimates the band gaps of semiconductors and insulators, which limits its capability of predicting the band alignment in metal/semiconductor contacts, a significant task in understanding charge transmission through CFs [24]. Various theoretical approaches have been proposed to overcome this shortcoming, thus providing more reliable predictions of physical properties that depend on excited states. Hedin's GW approximation is considered to be the state-of-the-art, which is still the most accurate method for electronic structure calculation. It calculates the quasiparticle energies in terms of the perturbation theory [25], and is a beyond-DFT technique. Hybrid functionals [26], which combine standard DFT and Hartree-Fock exchange functionals thro...