Wang Chenjie, Guo Guang-Can, He Lixin
Key Laboratory of Quantum Information, University of Science and Technology of China, Hefei, 230026, People's Republic of China.
Phys Rev Lett. 2007 Oct 26;99(17):177202. doi: 10.1103/PhysRevLett.99.177202. Epub 2007 Oct 22.
The ground state structural, electronic, and magnetic properties of multiferroic TbMn(2)O(5) are investigated via first-principles calculations. We show that the ferroelectricity in TbMn(2)O(5) is driven by the noncentrosymmetric magnetic ordering, without invoking the spin-orbit coupling and noncollinear spins. The intrinsic electric polarization in this compound is calculated to be 1187 nC cm(-2), an order of magnitude larger than previously thought.
通过第一性原理计算研究了多铁性材料TbMn₂O₅的基态结构、电子和磁性特性。我们表明，TbMn₂O₅中的铁电性是由非中心对称磁有序驱动的，无需引入自旋轨道耦合和非共线自旋。计算得出该化合物的固有极化强度为1187 nC cm⁻²，比之前认为的大一个数量级。
