论文标题
$ \ rm lavo_ {3} /latio_ {3} $ superlattice：a dft+mc研究
Magnetic Transition in $\rm LaVO_{3} /LaTiO_{3}$ superlattice: A DFT+MC study
论文作者
论文摘要
通过使用Ab-Initio密度函数理论（DFT）和Monte-Carlo（MC）模拟，通过堆叠$ \ rm latio_ {3} $的单层和$ \ rm lavo_ {3} $堆叠单层的超晶格探索了磁相变。 DFT衍生的层内和层间交换相互作用参数用于iSing自旋模型哈密顿式的MC模拟。在没有层间交换耦合的特定热量中观察到的两个尖峰表明，在$ \ rm latio_ {3} $和$ \ rm lavo_ {3} $ layers中的两个独立的磁性顺序。在较高的温度下，在较高温度下，在较高温度的特定热量中，在较高的温度下，将层间耦合包含在特定的热量下，表明在超晶格中的单个磁相过渡到$ c $ -c $ type的抗铁磁相。
Magnetic phase transitions have been explored in a superlattice formed by stacking monolayers of $\rm LaTiO_{3}$ and $\rm LaVO_{3}$ alternately, using ab-initio density functional theory (DFT) and Monte-Carlo (MC) simulations. DFT derived intra-layer and inter-layer exchange interaction parameters were used for the MC simulations on a Ising spin model Hamiltonian. Two sharp peaks observed in specific heat without the interlayer exchange coupling indicate two independent magnetic ordering in $\rm LaTiO_{3}$ and $\rm LaVO_{3}$ layers at different temperatures. Inclusion of interlayer coupling leads to one sharp peak at higher temperature with a broad hump like feature at lower temperature in specific heat indicating a single magnetic phase transition to $C$-type antiferromagnetic phase in the superlattice.
