Structural, electronic properties, and chemical bonding in quaternary layered titanium pnictide-oxides Na2Ti2Pn2O and BaTi2Pn2O (Pn = As, Sb) from FLAPW–GGA calculations
Keywords: پیوند شیمیایی; Layered Na2Ti2Pn2O; BaTi2Pn2O; Electronic properties; chemical bonding; Fermi surfaces; First-principles calculations