标题： 金刚石中自旋中心之间的纳米尺度交换相互作用 显示英文标题

标题： Nanometer-scale Exchange Interactions Between Spin Centers in Diamond

摘要： 在金刚石中，基于对金刚石和任何杂质原子的精确原子电子结构，计算了孤立自旋中心对之间的交换相互作用，自旋中心间距高达2~纳米。 对于自旋中心间距小于3~纳米的情况，交换相互作用超过偶极相互作用。 NV$^-$自旋中心是扩展缺陷，它们的相互作用方式取决于自旋中心对称轴与连接这对自旋中心的半径矢量之间的相对取向。 过渡金属掺杂剂之间的交换相互作用类似于NV$^-$中心的交换相互作用。 Mn\---Mn交换相互作用的衰减长度尺度比Cr\---Cr和Ni\---Ni交换相互作用要长得多，在Mn\---Mn间距小于5~纳米时，超过偶极相互作用。 这些高度各向异性和依赖于自旋中心的相互作用的计算，为设计新型纳米磁性结构的自旋-自旋相互作用提供了可能性。 显示英文摘要

摘要： Exchange interactions between isolated pairs of spin centers in diamond have been calculated, based on an accurate atomistic electronic structure for diamond and any impurity atoms, for spin-center separations up to 2~nm. The exchange interactions exceed dipolar interactions for spin center separations less than 3~nm. NV$^-$ spin centers, which are extended defects, interact very differently depending on the relative orientations of the symmetry axis of the spin center and the radius vector connecting the pair. Exchange interactions between transition-metal dopants behave similarly to those of NV$^-$ centers. The Mn\---Mn exchange interaction decays with a much longer length scale than the Cr\---Cr and Ni\---Ni exchange interactions, exceeding dipolar interactions for Mn\---Mn separations less than 5~nm. Calculations of these highly anisotropic and spin-center-dependent interactions provide the potential for design of the spin-spin interactions for novel nanomagnetic structures.