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
Combining two Bose-Einstein condensates(BECs)may result in a miscible or immiscible mixture.In this study,we investigate the miscibility-immiscibility transition of binary BEC mixture trapped in an isotropic harmonic ...Combining two Bose-Einstein condensates(BECs)may result in a miscible or immiscible mixture.In this study,we investigate the miscibility-immiscibility transition of binary BEC mixture trapped in an isotropic harmonic potential,with both inter-species s-wave and p-wave scattering interaction included.The mean-field Gross-Pitaevskii equations with p-wave interaction term are numerically solved to obtain the ground-state phase diagram.Due to the pwave interaction competing with isotropic s-wave interaction,the spatial density profile of binary BEC mixtures transforming from immiscible phase to miscible phase is observed.The p-wave interaction caused miscibility can be observed in current experiments of Bose-Bose mixture tuned near a p-wave Feshbach resonance.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.
基金supported in part by the Top-Notch Academic Programs Project of Jiangsu Higher Education Institutions(TAPP)the Startup Fund of Nanjing University of Aeronautics and Astronautics(No.1008-0280YAT21004)
文摘Combining two Bose-Einstein condensates(BECs)may result in a miscible or immiscible mixture.In this study,we investigate the miscibility-immiscibility transition of binary BEC mixture trapped in an isotropic harmonic potential,with both inter-species s-wave and p-wave scattering interaction included.The mean-field Gross-Pitaevskii equations with p-wave interaction term are numerically solved to obtain the ground-state phase diagram.Due to the pwave interaction competing with isotropic s-wave interaction,the spatial density profile of binary BEC mixtures transforming from immiscible phase to miscible phase is observed.The p-wave interaction caused miscibility can be observed in current experiments of Bose-Bose mixture tuned near a p-wave Feshbach resonance.
