镍原子团簇几何结构的紧束缚方法模拟

STRUCTURE SIMULATION OF NICKEL CLUSTERS BY TRANSFERABLE TIGHT\|BINDING POTENTIAL

利用在各种几何结构下普适的紧束缚原子间相互作用势和分子动力学中的退火方法计算出镍原子团簇Ｎｉｎ（ｎ＜

A transferable tight\|binding potential for nickel together with molecular\|dynamics methods and simulated\|annealing techniques have been used to study the structures and structural properties of nickel clusters.We have obtained the structures and their relative stability of some nickel clusters.