Chemical Bonding in Sulfide Minerals

摘要: Our knowledge and understanding of the electronic structure, chemical bonding, physical properties chalcogenides transition metals have advanced enormously over last two decades. From viewpoint theoretical solid-state physicist or chemist these advances were driven by orders magnitude increases in computer power that made quantitatively accurate calculations electron band structure a routine possibility. Within this chapter we highlight few such applications, concentrating on groups mineral sulfides: transition-metal dichalcogenides (including both layer-structure family pyrite/marcasite structures) tetrahedrite related minerals. While focusses results provided band-structure calculations, it is recognised can only be convincing given experimental back up techniques as ultraviolet X-ray photoemission Auger studies (Vaughan Tossell 1986).