Re-assigning (1x2) reconstruction of rutile TiO_2(110) from DFT+U   calculations
  Physically reasonable electronic structures of reconstructed rutile TiO_2(110)-(1x2) surfaces were studied using density functional theory (DFT) supplemented with Hubbard U on-site Coulomb repulsion acting on the d electrons, so called as the DFT+U approach. Two leading reconstruction models proposed by Onishi--Iwasawa and Park et al. were compared in terms of their thermodynamic stabilities. 
Hatice \"Unal, Ersen Mete and \c{S}inasi Ellialtio\u{g}lu
cond-mat.str-el