Density-functional study of structures and electronic properties of Cd clusters

被引：0
|
作者：
Zhao, J. [1 ]
机构：
[1] Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599-3255, United States
来源：
Physical Review A. Atomic, Molecular, and Optical Physics | 2001年 / 64卷 / 04期
关键词：
Approximation theory - Computer simulation - Electronic properties - Electronic structure - Genetic algorithms - Ground state - Ionization - Isomers - Probability density function - Van der Waals forces;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The density functional electronic structure calculation of cadmium clusters was performed to study their lowest-energy structures and electronic properties. The equilibrium structures of cadmium clusters was determined from a number of structural isomers generated from genetic algorithm simulations with a binding potential. The results showed the formation of highly stable closed pack structures. The evolution of electronic properties from Vander Walls to covalent and bulk material in cadmium clusters was also discussed.
引用
收藏
页码：432041 / 432045
相关论文
共 50 条
  • [41] Density-functional study of Scn (n=2-16) clusters:: Lowest-energy structures, electronic structure, and magnetism
    Yuan, H. K.
    Chen, H.
    Ahmed, A. S.
    Zhang, J. F.
    PHYSICAL REVIEW B, 2006, 74 (14)
  • [42] Density-functional theory study of structural and electronic properties of AgnAl(0,+1) (n=1-7) clusters
    Liu, FengLi
    Jiang, Gang
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 953 (1-3): : 7 - 17
  • [43] Structure and properties of Zrn Pd clusters by density-functional theory
    Jin Rong
    Chen Xiao-Hong
    ACTA PHYSICA SINICA, 2010, 59 (10) : 6955 - 6962
  • [44] Planar and cagelike structures of gold clusters:: Density-functional pseudopotential calculations
    Fernandez, Eva M.
    Soler, Jose M.
    Balbas, Luis C.
    PHYSICAL REVIEW B, 2006, 73 (23)
  • [45] The Role of the Oxygen Impurity on the Electronic Properties of Monolayer Graphene: A Density-Functional Study
    Hanna, Muh. Yusrul
    Santoso, Iman
    Absor, Moh. Adhib Ulil
    INTERNATIONAL CONFERENCE ON THEORETICAL AND APPLIED PHYSICS, 2018, 1011
  • [46] Density-functional theory study of gramicidin A ion channel geometry and electronic properties
    Todorovic, Milica
    Bowler, David R.
    Gillan, Michael J.
    Miyazaki, Tsuyoshi
    JOURNAL OF THE ROYAL SOCIETY INTERFACE, 2013, 10 (89)
  • [47] Structural and electronic properties of ultrathin copper nanowires: A density-functional theory study
    Ma, Liang-Cai
    Zhang, Jian-Min
    Xu, Ke-Wei
    PHYSICA B-CONDENSED MATTER, 2013, 410 : 105 - 111
  • [48] Density-functional study of the structures and properties of holmium-doped silicon clusters HoSin (n = 3–9) and their anions
    Liyuan Hou
    Jucai Yang
    Yuming Liu
    Journal of Molecular Modeling, 2017, 23
  • [49] Density-functional theory study of the geometries, stabilities, and electronic properties of AunRb (n=1-10) clusters: comparison with pure gold clusters
    Hu, Yan-Fei
    Jiang, Gang
    Meng, Da-Qiao
    MOLECULAR PHYSICS, 2012, 110 (02) : 95 - 111
  • [50] Structural and electronic properties of Bin (n=2-14) clusters from density-functional calculations
    Jia, J. M.
    Chen, G. B.
    Shi, D. N.
    Wang, B. L.
    EUROPEAN PHYSICAL JOURNAL D, 2008, 47 (03): : 359 - 365
12345