基于密度泛函理论的第一性原理计算,本文对单层1T-CoI_(2)的原子、电子结构和磁性进行了理论研究.使用广义布洛赫条件结合自旋螺旋方法计算了单层1T-CoI_(2)自旋螺旋的能量色散关系E(q),计算结果表明单层1T-CoI_(2)的基态呈现螺旋反铁磁...基于密度泛函理论的第一性原理计算,本文对单层1T-CoI_(2)的原子、电子结构和磁性进行了理论研究.使用广义布洛赫条件结合自旋螺旋方法计算了单层1T-CoI_(2)自旋螺旋的能量色散关系E(q),计算结果表明单层1T-CoI_(2)的基态呈现螺旋反铁磁,体系中含有键相关的各向异性作用,即Kitaev作用.计算了含有自旋-轨道耦合作用(spin orbital coupling,SOC)和不含有SOC的色散关系,分别将色散关系映射到HeisenbergKitaev模型,成功分解了多近邻海森伯作用参数J、Kitaev作用的K和非对角项Γ.单层1T-CoI_(2)以Heisenberg作用为主导,同时存在着较强的Kitaev相互作用,其中Γ_(1)达到了1.09 meV.可预测Kitaev作用在具有1T结构过渡金属三角格子中具有普遍适用性,表明单层1T-CoI_(2)是Kitaev的备选材料,并且为探索其他二维磁性材料的Kitaev作用奠定了理论基础.展开更多
The proper use of learning strategies can facilitate language learning. There are abundant studies on L2 learning strategies and the initial research is studies on good language learners, which provides information on...The proper use of learning strategies can facilitate language learning. There are abundant studies on L2 learning strategies and the initial research is studies on good language learners, which provides information on strategy use contributing to successful language learning. Strategies used by successful learners differ from less successful learners and strategies can be learned.展开更多
文摘基于密度泛函理论的第一性原理计算,本文对单层1T-CoI_(2)的原子、电子结构和磁性进行了理论研究.使用广义布洛赫条件结合自旋螺旋方法计算了单层1T-CoI_(2)自旋螺旋的能量色散关系E(q),计算结果表明单层1T-CoI_(2)的基态呈现螺旋反铁磁,体系中含有键相关的各向异性作用,即Kitaev作用.计算了含有自旋-轨道耦合作用(spin orbital coupling,SOC)和不含有SOC的色散关系,分别将色散关系映射到HeisenbergKitaev模型,成功分解了多近邻海森伯作用参数J、Kitaev作用的K和非对角项Γ.单层1T-CoI_(2)以Heisenberg作用为主导,同时存在着较强的Kitaev相互作用,其中Γ_(1)达到了1.09 meV.可预测Kitaev作用在具有1T结构过渡金属三角格子中具有普遍适用性,表明单层1T-CoI_(2)是Kitaev的备选材料,并且为探索其他二维磁性材料的Kitaev作用奠定了理论基础.
文摘The proper use of learning strategies can facilitate language learning. There are abundant studies on L2 learning strategies and the initial research is studies on good language learners, which provides information on strategy use contributing to successful language learning. Strategies used by successful learners differ from less successful learners and strategies can be learned.