First-principles study of the stability and Jahn–Teller distortion of nickel clusters

Physics Letters A - Tập 342 - Trang 459-467 - 2005
Zun Xie1,2, Qing-Min Ma2, Ying Liu2,3, You-Cheng Li2,1
1School of Material Science and Engineering, Hebei University of Technology, 300130 Tianjin, China
2Department of Physics, Hebei Normal University, 050016 Shijiazhuang, Hebei, China
3National Key Laboratory for Materials Simulation and Design, 100080 Beijing, China

Tài liệu tham khảo

Desmarais, 1998, Chem. Phys. Lett., 294, 480, 10.1016/S0009-2614(98)00906-3 Reuse, 1995, Phys. Rev. B, 52, R11650, 10.1103/PhysRevB.52.R11650 Parks, 1991, J. Chem. Phys., 94, 1882, 10.1063/1.459910 Parks, 1994, J. Chem. Phys., 100, 7206, 10.1063/1.466868 Nayak, 1996, Chem. Phys. Lett., 253, 390, 10.1016/0009-2614(96)00299-0 Basch, 1980, J. Chem. Phys., 73, 4492, 10.1063/1.440687 Tomonari, 1986, J. Chem. Phys., 85, 2875, 10.1063/1.451047 Nygren, 1992, J. Phys. Chem., 96, 3633, 10.1021/j100188a016 Soler, 1990, Phys. Rev. B, 42, 9728, 10.1103/PhysRevB.42.9728 Yu, 1991, Phys. Rev. B, 43, 6411, 10.1103/PhysRevB.43.6411 Mlynarski, 1991, J. Chem. Phys., 95, 6050, 10.1063/1.461574 Reuse, 1995, Chem. Phys. Lett., 234, 77, 10.1016/0009-2614(95)00012-S Ham, 2000, J. Lumin., 85, 193, 10.1016/S0022-2313(99)00187-8 Reuse, 1995, Phys. Rev. B, 52, R11650, 10.1103/PhysRevB.52.R11650 Zhang, 2004, J. Chem. Phys., 120, 5104, 10.1063/1.1647060 Zhang, 2004, J. Chem. Phys., 120, 5081, 10.1063/1.1647513 Wang, 2002, Phys. Rev. B, 65, 165424, 10.1103/PhysRevB.65.165424 Wang, 2004, J. Chem. Phys., 120, 8463, 10.1063/1.1701769 Menon, 1994, Phys. Rev. B, 50, 8903, 10.1103/PhysRevB.50.8903 Grigoryan, 2004, Phys. Rev. B, 70, 205415, 10.1103/PhysRevB.70.205415 Delley, 1990, J. Chem. Phys., 92, 508, 10.1063/1.458452 Perdew, 1992, Phys. Rev. B, 45, 13244, 10.1103/PhysRevB.45.13244 Becke, 1988, J. Chem. Phys., 88, 2547, 10.1063/1.454033 Lee, 1988, Phys. Rev. B, 37, 786 Tsuneda, 1999, J. Chem. Phys., 110, 10664, 10.1063/1.479012 Pinegar, 1995, J. Chem. Phys., 102, 666, 10.1063/1.469562 Moskovits, 1977, J. Chem. Phys., 66, 3988, 10.1063/1.434451 Alonso, 2000, Chem. Rev., 100, 637, 10.1021/cr980391o Moskovits, 1980, J. Chem. Phys., 72, 2267, 10.1063/1.439461 Yu, 1991, J. Phys. Chem., 95, 9167, 10.1021/j100176a025 Khanna, 2001, Phys. Rev. B, 64, 235419, 10.1103/PhysRevB.64.235419 Akola, 1998, Phys. Rev. B, 58, 3601, 10.1103/PhysRevB.58.3601 Stave, 1992, J. Chem. Phys., 97, 3386, 10.1063/1.462975 Zhou, 1999, Mater. Trans., JIM, 40, 1237, 10.2320/matertrans1989.40.1237 Zhou, 1999, Phys. Rev. B, 60, 9545, 10.1103/PhysRevB.60.9545 Wan, 2004, Phys. Rev. B, 69, 174414, 10.1103/PhysRevB.69.174414 Apsel, 1996, Phys. Rev. Lett., 76, 1441, 10.1103/PhysRevLett.76.1441 Fujima, 1996, Phys. Rev. B, 54, 26, 10.1103/PhysRevB.54.26