Electronic, optical properties and chemical bonding in six novel 1111-like chalcogenide fluorides AMChF (A=Sr, Ba; M=Cu, Ag; and Ch=S, Se, Te) from first principles calculations

► Very recently six new layered 1111-like chalcogenide fluorides AMChF were synthesized. ► Electronic, optical properties for AMChF phases were examined from first principles. ► All these materials are characterized as non-magnetic semiconductors. ► Bonding is highly anisotropic and includes ionic and covalent contributions. ► Introduction of magnetic ions in AMChF is proposed for search of novel magnetic materials.