2009/07/31 by Kun Cao, Guang-Can Guo, Guang‐Can Guo +2
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Computer science #Condensed matter physics #Dielectric #Dielectric function #Ferroelectric and Piezoelectric Materials #Ferroelectricity #Machine learning #Multiferroics #Multiferroics and related materials #Phase transition #Physics #Quantum mechanics #cond-mat.mtrl-sci #cond-mat.other
paper · pdf · doi:10.1103/physrevlett.103.257201
published as Phys. Rev. Lett. 103, 257201 (2009)
openalex publication_date 2009/12/15 · arxiv created 2009/12/21 · arxiv updated 2015/05/13 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We investigate the phase diagrams of RMn(2)O(5) via a first-principles effective-Hamiltonian method. We are able to reproduce the most important features of the complicated magnetic and ferroelectric phase transitions. The calculated polarization as a function of temperature agrees very well with experiments. The dielectric-constant step at the commensurate-to-incommensurate magnetic phase transition is well reproduced. The microscopic mechanisms for the phase transitions are discussed.