Atomic domain magnetic nanoalloys: interplay between molecular structure and temperature dependent magnetic and dielectric properties in manganese doped tin clusters.
Atomic domain magnetic nanoalloys: interplay between molecular structure and temperature dependent magnetic and dielectric properties in manganese doped tin clusters.
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DOI：
10.1039/c4cp02994a
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发表时间：
2014-10
期刊：
影响因子：
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通讯作者：
Urban Rohrmann;P. Schwerdtfeger;R. Schäfer
中科院分区：
文献类型：
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作者：
Urban Rohrmann;P. Schwerdtfeger;R. Schäfer
我们提出了广泛的温度相关的（16-70 K）磁和电分子束偏转测量中性锰掺杂锡簇Mn/SnN（N = 9-18）。团簇的几何形状确定的电偏转配置文件和量子化学数据从DFT计算得到的比较。大多数团簇采用笼状结构，所有团簇都具有非零的磁偶极矩。在高温制度下，所有物种都表现出专门的高场寻求磁响应和磁偶极矩提取的分子束的移位。在低喷嘴温度下，由于磁场中的非均匀偏转，一些簇显示出相当宽的束轮廓。结果反映了化学环境对原子畴磁性纳米合金中过渡金属磁性的影响。不同大小孤立团簇的基态自旋多重性不同以及转动和振动自由度与自旋角动量的耦合是导致自旋取向变化的主要原因。这是讨论考虑到电子和分子结构数据。
We present extensive temperature dependent (16-70 K) magnetic and electric molecular beam deflection measurements on neutral manganese doped tin clusters Mn/SnN (N = 9-18). Cluster geometries are identified by comparison of electric deflection profiles and quantum chemical data obtained from DFT calculations. Most clusters adopt endohedral cage structures and all clusters exhibit non-vanishing magnetic dipole moments. In the high temperature regime all species show exclusively high field seeking magnetic response and the magnetic dipole moments are extracted from the shift of the molecular beam. At low nozzle temperatures, some of the clusters show considerably broadened beam profiles due to non-uniform deflection in the magnetic field. The results reflect the influence of the chemical environment on the magnetic properties of the transition metal in atomic domain magnetic nanoalloys. Different ground state spin multiplicities and coupling of rotational and vibrational degrees of freedom with the spin angular momentum of isolated clusters of different size apparently cause these variations of spin orientation. This is discussed by taking electronic and molecular structure data into account.