First-principles studies of the magnetic structure and exchange interactions in the frustrated multiferroic YMnO3 - Zhong, Chonggui; Jiang, Xuefang; Yu, Hailin; Jiang, Qing; Fang, Jinghuai; Li, Zhenya (Journal of magnetism and magnetic materials, 2009)
Keywords: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Dielectrics, piezoelectrics, and ferroelectrics and their properties; Electron density of states and band structure of crystalline solids; Electron states; Exact sciences and technology; Ferroelectricity and antiferroelectricity; Magnetic properties and materials; Other inorganic compounds; Physics; Spin arrangements in magnetically ordered materials (including neutron and spin-polarized electron studies, synchrotron-source x-ray scattering, etc.); 71.27.+a; Total energy; Density of states; Noncollinear magnetism; Antiferromagnetic materials; Heisenberg model; 75.50.Ee; 71.70.Gm; Electronic density of states; Density function theory; Ferroic material; Energy gap; Electronic structure; Ferroelectricity; Triangular lattices; Yttrium Manganites; Exchange interaction; Density functional method; Magnetic structure; Generalized gradient approximation; Frustration; Exchange interactions; 75.30.Et