%0 Journal Article %J Physics and Chemistry of Minerals %D 2005 %T First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se %A Caracas, Razvan %A Gonze, Xavier %X We determine the valence electron density and the electron band structure of stibnite, bismutinite, guanajuatite and antimonelite using the density functional theory. All the compounds present similar electronic properties and exhibit a quasi-1D character. We perform a detailed analysis of the charge topology, the atomic static charges and volumes. %B Physics and Chemistry of Minerals %V 32 %P 295 - 300 %8 Jan-07-2005 %G eng %U http://rruff.geo.arizona.edu/AMS/authors/Caracas%20R %N 4 %! Phys Chem Minerals %R 10.1007/s00269-005-0470-y