Journal
PHYSICAL REVIEW B
Volume 88, Issue 6, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.88.060406
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Funding
- NSFC
- Special Funds for Major State Basic Research
- Foundation for the Author of National Excellent Doctoral Dissertation of China
- Program for Professor of Special Appointment at Shanghai Institutions of Higher Learning
- Research Program of Shanghai municipality
- MOE
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By performing first-principles calculations, we systematically explore the effect of epitaxial strain on the structure and properties of multiferroic TbMnO3. We show that, although the unstrained bulk TbMnO3 displays a noncollinear antiferromagnetic spin order, TbMnO3 can be ferromagnetic under compressive strain, in agreement with the experimental results on TbMnO3 grown on SrTiO3. By increasing the tensile strain up to 5%, we predict that TbMnO3 transforms into a multiferroic state with a large ferroelectric polarization, two orders of magnitude larger than that in the unstrained bulk, and with a relatively high Neel temperature E-type antiferromagnetic order. We also find that the ferroelectric domain and antiferromagnetic domain are interlocked with each other, thus an external electric field can switch the ferroelectric domain and the antiferromagnetic domain simultaneously. Our work demonstrates that strain engineering can be used to improve the multiferroic properties of TbMnO3.
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