Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University, Princetonplein 5, 3584 CC Utrecht, The Netherlands.
J Chem Phys. 2011 Oct 7;135(13):134105. doi: 10.1063/1.3637046.
We employ the coupled dipole method to calculate the polarizability tensor of various anisotropic dielectric clusters of polarizable atoms, such as cuboid-, bowl-, and dumbbell-shaped nanoparticles. Starting from a Hamiltonian of a many-atom system, we investigate how this tensor depends on the size and shape of the cluster. We use the polarizability tensor to calculate the energy difference associated with turning a nanocluster from its least to its most favorable orientation in a homogeneous static electric field, and we determine the cluster dimension for which this energy difference exceeds the thermal energy such that particle alignment by the field is possible. Finally, we study in detail the (local) polarizability of a cubic-shaped cluster and present results indicating that, when retardation is ignored, a bulk polarizability cannot be reached by scaling up the system.
我们采用偶极子耦合方法来计算各向异性介电原子团簇(如长方体、碗形和哑铃形纳米颗粒)的极化率张量。从多原子体系的哈密顿量出发,我们研究了这个张量如何依赖于团簇的大小和形状。我们利用极化率张量来计算将纳米团簇从最不利方向旋转到最有利方向所需的能量差,以及确定这个能量差超过热能耗散的团簇维度,使得粒子在电场中可以发生取向。最后,我们详细研究了立方形状的团簇的(局部)极化率,并给出结果表明,当忽略延迟时,通过放大系统无法达到体极化率。