GdₓSm₁₋ₓN的可调控磁行为、电子结构及氮空位形成
Tuneable magnetic behaviour, electronic structure and nitrogen vacancy formation in Gd$_{x}$Sm$_{1-x}$N
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中文总结 AI 辅助
本文结合计算与实验研究GdₓSm₁₋ₓN的电子和磁性能，发现阳离子取代可调控其磁性能与氮空位形成能，对超导自旋电子学具有重要意义。
中文摘要 AI 辅助
稀土氮化物是唯一一类本征铁磁半导体，其自旋与未淬灭轨道角动量的相互作用可实现多种磁行为，且通过在氮化物中组合多种镧系离子可精细调控磁性能。本文对GdₓSm₁₋ₓN的电子和磁性能开展计算与实验结合的研究，探讨阳离子取代对内部交换场和能带结构的影响。研究发现，通过阳离子取代，GdₓSm₁₋ₓN的矫顽场变化达几个数量级，而内部交换场变化约20%。调控这些材料性能在超导自旋电子学领域至关重要。最后，鉴于Sm含量较高的薄膜中氮空位浓度更高，本文计算研究了GdₓSm₁₋ₓN中氮空位缺陷的形成，发现与Gd离子相邻的空位形成能显著低于与Sm离子相邻的空位形成能。
英文摘要
The rare earth nitrides are the only series of intrinsic ferromagnetic semiconductors where the interplay of spin and unquenched orbital angular momentum provides access to a range of magnetic behaviour. Furthermore, the magnetic properties can be finely tuned through the combination of multiple lanthanide ions in the nitride. Here we present a combined computational and experimental study on the electronic and magnetic properties of Gd$_x$Sm$_{1-x}$N and discuss the effect of cation substitution on the internal exchange field and band structure. We find that as the coercive field of Gd$_x$Sm$_{1-x}$N changes over orders of magnitude via cation substitution the internal exchange field changes by $\sim$20%. Control of these material properties is vital in the field of superconducting spintronics. Finally, motivated by an enhanced concentration of nitrogen vacancies in films with higher Sm content, we investigate computationally the formation of nitrogen vacancy defects in Gd$_x$Sm$_{1-x}$N finding that the formation energy is significantly reduced for vacancy sites adjacent to Sm ions rather than Gd ions.
