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Optimized structure and thermodynamic properties of atomic clusters in the framework of the extended Hubbard model

Zheng Xiao-Jun Zhang Jun Huang Zhong-Bing

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Optimized structure and thermodynamic properties of atomic clusters in the framework of the extended Hubbard model

Zheng Xiao-Jun, Zhang Jun, Huang Zhong-Bing
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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]BjSrnholm S 1990 Contem. Phys. 31 309

    [3]

    [3]Billas I M L, Chtelain 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-Dvila 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 物理学报 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 物理学报 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 物理学报 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 物理学报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 物理学报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 物理学报 58 6134]

    [14]

    ]Paster G M, Hirsch R, Mühlschlegel B 1994 Phys. Rev. Lett. 72 3879

    [15]

    ]Paster G M, Dorantes-Dvila J, Pick S, Dreysse H 1995 Phys. Rev. Lett. 75 326

    [16]

    ]Paster G M, Dorantes-Dvila J 1996 Mater. Sci. Eng. A 217—218 286

    [17]

    ]Rodriguez-López J L, Dorantes-Dvila 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

  • [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]BjSrnholm S 1990 Contem. Phys. 31 309

    [3]

    [3]Billas I M L, Chtelain 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-Dvila 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 物理学报 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 物理学报 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 物理学报 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 物理学报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 物理学报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 物理学报 58 6134]

    [14]

    ]Paster G M, Hirsch R, Mühlschlegel B 1994 Phys. Rev. Lett. 72 3879

    [15]

    ]Paster G M, Dorantes-Dvila J, Pick S, Dreysse H 1995 Phys. Rev. Lett. 75 326

    [16]

    ]Paster G M, Dorantes-Dvila J 1996 Mater. Sci. Eng. A 217—218 286

    [17]

    ]Rodriguez-López J L, Dorantes-Dvila 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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  • Abstract views:  8832
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Publishing process
  • Received Date:  07 September 2009
  • Accepted Date:  25 January 2010
  • Published Online:  05 March 2010

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