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By using a numerical exact diagonalization method, the properties of atomic clusters with atom number N=5 and N=6 are investigated in the framework of the extended Hubbard model. The optimized structure and the corresponding total spin S are obtained both as a function of Hubbard onsite interaction U, nearest-neighbor Coulomb repulsion V and filling number of electrons. Results show that with V increasing, the optimized structure of cluster turns into a chain or star-like structure with fewer bonds. The thermodynamic properties are also analyzed based on the distribution of energy levels of cluster with an optimized structure.
[1] ［1］Wang G H 2003 Cluster Physics (Shanghai: Shanghai Science and Technology Press) pp1—9 (in Chinese) ［王广厚 2003 团簇物理学 (上海：上海科学技术出版社) 第1—9页］
[2] ［2］BjSrnholm S 1990 Contem. Phys. 31 309
[3] ［3］Billas I M L, Chtelain A, de Heer W A 1994 Science 265 1682
[4] ［4］Apsel S E, Emert J W, Deng J, Bloomfield L A 1996 Phys. Rev. Lett. 76 1441
[5] ［5］Yamamoto Y, Miura T, Suzuki H 2002 Phys.Ｒev. Lett.93 116801
[6] ［6］Paster G M, Dorantes-Dvila J, Bennemann K H 1989 Phys. Ｒev.B 40 7642
[7] ［7］Felix-Medina R, Dorantes-Dacila H, Pastor G M 2003 Phys. Ｒev.B 67 094430
[8] ［8］Yang Z, Yan Y L, Zhao W J, Lei X L, Ge G X, Luo Y H 2007 Acta Phys. Sin. 56 2590 (in Chinese) ［杨致、闫玉丽、赵文杰、雷雪玲、葛桂贤、罗有华 2007 56 2590］
[9] ［9］Ren F Z, Wang Y X, Tian F Y, Zhao W J, Lou Y H 2008 Acta Phys. Sin. 57 2165 (in Chinese) ［任凤竹、王渊旭、田付阳、赵文杰、罗有华 2008 57 2165］
[10] ］Li X B, Luo J S, Guo Y D, Wu W D, Wang H Y, Tang Y J 2008 Acta Phys. Sin. 57 4857 (in Chinese) ［李喜波、罗江山、郭云东、吴卫东、王红艳、唐永建 2008 57 4857］
[11] ］Xu Y, Wang X L, Zeng Z 2009 Acta Phys. Sin. 58 S72 (in Chinese) ［徐勇、王贤龙、曾雉 2009 58 S72］
[12] ］Chen X, Peng X, Deng K M, Xiao C Y, Hu F L, Tan W S 2009 Acta Phys. Sin. 58 5370 (in Chinese) ［陈宣、彭霞、邓开明、肖传云、胡凤兰、谭伟石 2009 58 5370］
[13] ］Li X B, Wang H Y, Luo J S, Wu W D, Tang Y J 2009 Acta Phys. Sin. 58 6134 (in Chinese) ［李喜波、王红艳、罗江山、吴卫东、唐永建 2009 58 6134］
[14] ］Paster G M, Hirsch R, Mühlschlegel B 1994 Phys. Ｒev. Lett. 72 3879
[15] ］Paster G M, Dorantes-Dvila J, Pick S, Dreysse H 1995 Phys. Ｒev. Lett. 75 326
[16] ］Paster G M, Dorantes-Dvila J 1996 Mater. Sci. Eng. A 217—218 286
[17] ］Rodriguez-López J L, Dorantes-Dvila J, Paster G M 1998 Phys. Rev. B 57 1040
[18] ］López-Urias F, Paster G M, Bennemann K H 2000 J. Appl. Phys. 87 4909
[19] ］López-Sandoval R, Paster G M 2004 J. Phys.: Condens. Matter 16 S2223
[20] ］López-Urias F, Paster G M 2005 J. Magn. Magn. Mater. 294 27
[21] ］Shibata Y, Nishimoto S, Ohta Y 2001 Phys. Ｒev. B 64 235107
[22] ］Onari S, Arita R, Kuroki K, Aoki H 2004 Phys. Ｒev.B 70 094523
[23] ］Penc K, Mila F 1994 Phys. Rev.B 49 9670
[24] ］Clay R T, Sandvik A W, Campbell D K 1999 Phys. Rev.B 59 4665
[25] ］Nakamura M 2000 Phys. Rev.B 61 16377
[26] ］Murakami M 2000 J. Phys. Soc. Jpn. 69 1113
[27] ］Onozawa M, Fukumoto Y, Oguchi A, Mizuno Y 2000 Phys. Rev.B 62 9648
[28] ］Esirgen G, Schuttler H B, Bickers N E 1999 Phys. Rev. Lett. 82 1217
[29] ］Merino J, McKenzie R H 2001 Phys. Rev. Lett. 87 237002
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[1] ［1］Wang G H 2003 Cluster Physics (Shanghai: Shanghai Science and Technology Press) pp1—9 (in Chinese) ［王广厚 2003 团簇物理学 (上海：上海科学技术出版社) 第1—9页］
[2] ［2］BjSrnholm S 1990 Contem. Phys. 31 309
[3] ［3］Billas I M L, Chtelain A, de Heer W A 1994 Science 265 1682
[4] ［4］Apsel S E, Emert J W, Deng J, Bloomfield L A 1996 Phys. Rev. Lett. 76 1441
[5] ［5］Yamamoto Y, Miura T, Suzuki H 2002 Phys.Ｒev. Lett.93 116801
[6] ［6］Paster G M, Dorantes-Dvila J, Bennemann K H 1989 Phys. Ｒev.B 40 7642
[7] ［7］Felix-Medina R, Dorantes-Dacila H, Pastor G M 2003 Phys. Ｒev.B 67 094430
[8] ［8］Yang Z, Yan Y L, Zhao W J, Lei X L, Ge G X, Luo Y H 2007 Acta Phys. Sin. 56 2590 (in Chinese) ［杨致、闫玉丽、赵文杰、雷雪玲、葛桂贤、罗有华 2007 56 2590］
[9] ［9］Ren F Z, Wang Y X, Tian F Y, Zhao W J, Lou Y H 2008 Acta Phys. Sin. 57 2165 (in Chinese) ［任凤竹、王渊旭、田付阳、赵文杰、罗有华 2008 57 2165］
[10] ］Li X B, Luo J S, Guo Y D, Wu W D, Wang H Y, Tang Y J 2008 Acta Phys. Sin. 57 4857 (in Chinese) ［李喜波、罗江山、郭云东、吴卫东、王红艳、唐永建 2008 57 4857］
[11] ］Xu Y, Wang X L, Zeng Z 2009 Acta Phys. Sin. 58 S72 (in Chinese) ［徐勇、王贤龙、曾雉 2009 58 S72］
[12] ］Chen X, Peng X, Deng K M, Xiao C Y, Hu F L, Tan W S 2009 Acta Phys. Sin. 58 5370 (in Chinese) ［陈宣、彭霞、邓开明、肖传云、胡凤兰、谭伟石 2009 58 5370］
[13] ］Li X B, Wang H Y, Luo J S, Wu W D, Tang Y J 2009 Acta Phys. Sin. 58 6134 (in Chinese) ［李喜波、王红艳、罗江山、吴卫东、唐永建 2009 58 6134］
[14] ］Paster G M, Hirsch R, Mühlschlegel B 1994 Phys. Ｒev. Lett. 72 3879
[15] ］Paster G M, Dorantes-Dvila J, Pick S, Dreysse H 1995 Phys. Ｒev. Lett. 75 326
[16] ］Paster G M, Dorantes-Dvila J 1996 Mater. Sci. Eng. A 217—218 286
[17] ］Rodriguez-López J L, Dorantes-Dvila J, Paster G M 1998 Phys. Rev. B 57 1040
[18] ］López-Urias F, Paster G M, Bennemann K H 2000 J. Appl. Phys. 87 4909
[19] ］López-Sandoval R, Paster G M 2004 J. Phys.: Condens. Matter 16 S2223
[20] ］López-Urias F, Paster G M 2005 J. Magn. Magn. Mater. 294 27
[21] ］Shibata Y, Nishimoto S, Ohta Y 2001 Phys. Ｒev. B 64 235107
[22] ］Onari S, Arita R, Kuroki K, Aoki H 2004 Phys. Ｒev.B 70 094523
[23] ］Penc K, Mila F 1994 Phys. Rev.B 49 9670
[24] ］Clay R T, Sandvik A W, Campbell D K 1999 Phys. Rev.B 59 4665
[25] ］Nakamura M 2000 Phys. Rev.B 61 16377
[26] ］Murakami M 2000 J. Phys. Soc. Jpn. 69 1113
[27] ］Onozawa M, Fukumoto Y, Oguchi A, Mizuno Y 2000 Phys. Rev.B 62 9648
[28] ］Esirgen G, Schuttler H B, Bickers N E 1999 Phys. Rev. Lett. 82 1217
[29] ］Merino J, McKenzie R H 2001 Phys. Rev. Lett. 87 237002
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