Ab initio investigation of electronic and lattice properties of Fe${}_4$(P${}_2$O${}_7$)${}_3$

Svitlana Pastukh, Pawel T. Jochym, Jan Lazewski +2

In this research, we examine the electronic, magnetic, and lattice properties of the Fe${}_4$(P${}_2$O${}_7$)${}_3$ compound using the first principles calculations based on the density fu…