Table 1. The calculated energy difference (per Fe/Mn/Cr atom) between the reference ferromagnetic (FM) and antiferromagnetic (AFM) states.

m ₁ and m ₂ are the local magnetic moments for A cations using Wigner–Seitz spheres. M is the net magnetization. All moments are in units of μ_B. G-AFM = G-type antiferromagnetic, C-AFM = C-type antiferromagnetic and A-AFM = A-type antiferromagnetic.

Superstructure	Ferroelectric	Order	ΔE (meV)	m 1	m 2	M
LaFeO3/BaTiO3	+P	FM	0	4.26	4.16	4.75
	+P	G-AFM	−152.26	4.13	−4.07	−0.01
	−P	FM	0	4.31	4.29	4.88
	−P	G-AFM	−247.87	4.16	−4.14	0
LaMnO3/BaTiO3	+P	FM	0	3.59	3.27	3.43
	+P	A-AFM	−30.48	3.24	−3.55	−0.01
	−P	FM	−42.45	3.58	3.77	3.82
	−P	A-AFM	0	3.77	−3.37	0.20
LaCrO3/BaTiO3	+P	FM	0	2.77	2.52	2.82
	+P	C-AFM	−45.28	2.76	−2.47	0.03
	−P	FM	0	2.80	2.78	2.86
	−P	G-AFM	−95.95	2.79	−2.78	0