Interplay of lattice distortion and bands near the Fermi level in $A$TiO${}_3$ ($A$=Ca, Sr, Ba)

Patrick Ning'i, Stephen Chege, James Sifuna +1

The structural and electronic properties of $A$TiO${}_3$ ($A$=Ca, Sr, Ba) have been investigated under strain-free situation and with realistic constraints using first-principles cal…