论文标题
Mn3+和V3+离子在MN1+ XV2-XO4中的轨道竞争
Orbital competition of Mn3+ and V3+ ions in Mn1+xV2-xO4
论文作者
论文摘要
MN1+XV2-XO4的结构和磁性（0 <x <= 1）是一个复杂的挫败系统，通过热容量，磁化，X射线衍射和中子衍射测量进行了研究。对于x <= 0.3，观察到立方到四方（C> A）相变。对于x> 0.3，系统维持四方晶格。对于所有组成，还观察到共线和非连接磁过渡。为了揭示基态的动力学，第一个原理模拟不仅用于分析MN2+，MN3+和V3+离子的轨道效应，还分析了相关的交换能。
The structure and magnetic properties of Mn1+xV2-xO4 (0<x<=1), a complex frustrated system, were investigated by heat capacity, magnetization, x-ray diffraction, and neutron diffraction measurements. For x<=0.3, a cubic-to-tetragonal (c > a) phase transition was observed. For x > 0.3, the system maintained the tetragonal lattice. The collinear and noncollinear magnetic transition was also observed for all compositions. To reveal the dynamics of the ground state, first principle simulation was applied to not only analyze the orbital effects of Mn2+, Mn3+, and V3+ ions, but also the related exchange energies.
