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Structural and magnetic properties of the doped terbium manganites (Tb,A)MnO3(A = Gd, Dy and Ho) have been investigated using first-principles calculationsand further confirmed by subse- quent experimental studies. Both computationaland experimental studies suggest that compared to the parent material, namely,TbMnO3 (with a magnetic moment of 9.7 /muB for Tb3+) Dy- and Ho- ionsubstituted TbMnO3 results in an increase in the magnetic moment (< 10.6/muBfor Dy3+ and Ho3+). The observed spiral-spin AFM order in TbMnO3 is stable withrespect to the dopant substitutions, which modify the Mn-O-Mn bond angles andlead to stronger the ferromagnetic component of the magnetic moment. Given thefact that magnetic ordering in TbMnO3 causes the ferroelectricity, this is animportant step in the field of the magnetically driven ferroelectricity in theclass of magnetoelectric multiferroics, which traditionally have low magneticmoments due to the predominantly antiferromagnetic order. In addition, thepresent study reveals important insights on the phenomenological couplingmechanism in detail, which is essential in order to design new materials withenhanced magneto-electric effects at higher temperatures.

Dopant-mediated structural and magnetic properties of TbMnO3