【摘 要】
：
The structural and magnetic properties of TM1a and TM13@Au32 clusters (TM=Mn,Co) are studied by firstprinciples calculations.We find that the Au32 cluster can t
【机 构】
：
International Laboratory for Quantum Functional Materials of Henan, School of Physics and Engineerin
论文部分内容阅读
The structural and magnetic properties of TM1a and TM13@Au32 clusters (TM=Mn,Co) are studied by firstprinciples calculations.We find that the Au32 cluster can tune not only the magnetic moment but also the magnetic coupling properties between the TM atoms of the TM cluster.The Au32 cluster can increase the net magnetic moment of Mn13 clusters while reducing that of Co13 clusters.The interaction between Au and Mn atoms induces more Mn atoms to form spin parallel coupling,resulting in an increase of the total magnetic moment of Mn13 clusters,while for the Co13 clusters,the interaction between Au and Co atoms does not change the magnetic coupling states between the Co atoms,but reduces the magnetic moment of the Co atoms,leading to a decrease of the total magnetic moment of this system.Our findings indicate that the encapsulation of Au32 clusters can not only raise the chemical stability of TM clusters,but also can tune their magnetic coupling properties and magnetic moment,which enables such systems to be widely applied in fields of spintronics and medical science.
其他文献
计算机是十分复杂和有力的工具,它大大扩展了人类计算、选择、改编、展现、设计的能力和从事创作作品所需的其它工作.而网络的加盟,以其超容量信息的优势,又使作者的创作活动
江总书记“三个代表”的重要思想中把“代表中国先进文化的前进方向”提升为党的思想建设的重要内容加以阐述,以全新的高度阐明了没有先进的文化,就没有党的思想建设的辩证
Growth of high-quality single crystals is of great significance for research of condensed matter physics.The exploration of suitable growing conditions for sing
Ferroelectric Pb(Zr0.60Ti0.40)O3 thin films deposited on the niobium-doped SrTiO3 and Pt (111)/Ti/SiO2/Si substrates are fabricated by a sol-gel method.X-ray di
The one-dimensional interacting Kitaev chain at half fifling is studied.The symmetry of the Hamiltonian is examined by dual transformations,and various physical
For square-step quantum wells (SSQWs) and graded-step quantum wells (GSQWs),the nonlinear optical rectification (NOR),second harmonic generation (SHG) and third
目前太阳能“热管”式集热管的热效率都较低,从网上查到的一般在50%左右,生产厂商的宣传册中称其“热管”内的蒸汽温度达150℃以上,有的宣称达200℃.现以生产厂“热管”的宣
We propose a new CaN4 high pressure structure with the P21/m space group.The P21/m-CaN4 structure is constituted by the infinite armchair N-chain.The dynamical
We present an efficient three-dimensional coupled-mode model based on the Fourier synthesis technique.In principle,this model is a one-way model,and hence provi