Structural and magnetic properties of the doped terbium manganites (Tb,A)MnO3
(A = Gd, Dy and Ho) have been investigated using first-principles calculations
and further confirmed by subse- quent experimental studies. Both computational
and experimental studies suggest that compared to the parent material, namely,
TbMnO3 (with a magnetic moment of 9.7 /muB for Tb3+) Dy- and Ho- ion
substituted TbMnO3 results in an increase in the magnetic moment (< 10.6/muB
for Dy3+ and Ho3+). The observed spiral-spin AFM order in TbMnO3 is stable with
respect to the dopant substitutions, which modify the Mn-O-Mn bond angles and
lead to stronger the ferromagnetic component of the magnetic moment. Given the
fact that magnetic ordering in TbMnO3 causes the ferroelectricity, this is an
important step in the field of the magnetically driven ferroelectricity in the
class of magnetoelectric multiferroics, which traditionally have low magnetic
moments due to the predominantly antiferromagnetic order. In addition, the
present study reveals important insights on the phenomenological coupling
mechanism in detail, which is essential in order to design new materials with
enhanced magneto-electric effects at higher temperatures.Comment: 6 pages, 5 figure