TY - JOUR T1 - First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se JF - Physics and Chemistry of Minerals Y1 - 2005 AB - 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. VL - 32 UR - http://rruff.geo.arizona.edu/AMS/authors/Caracas%20R CP - 4 J1 - Phys Chem Minerals KW - Caracas2005 ER -