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Universal equation of state for alkali halide solids

Chen Xi-Meng Cai Ling-Cang Sun Jiu-Xun Hu Jing

Universal equation of state for alkali halide solids

Chen Xi-Meng, Cai Ling-Cang, Sun Jiu-Xun, Hu Jing
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  • A universal equation of state for solids is proposed. The equation exactly accounts for the cohesive energy; no physically incorrect oscillations exists, and its action is correct in both high pressure and expanded regions. The new equation and several typical equations in literature are applied to 15 alkali halide solids, and one alkaline earth oxide. The results show that the new equation can well fit experimental data, and can give correct cohesive energy. The parameters determined from the Vinet and Morse equations are sensitive to the data range, whereas the new equation is not . This implies that the applicability of new equation is better than the Vinet and Morse equations.
    • Funds:
    [1]

    [1]Rose J H, Smith J R, Guinea F 1984 Phys. Rev. B 29 2963

    [2]

    [2]Vinet P, Smith J R, Ferrante J, Rose J H 1987 Phys. Rev. B 35 1945

    [3]

    [3]Stacey F D, Brennan B J, Irvine R D 1981 Geophys. Surveys 4 189

    [4]

    [4]Kuchhal P, Kumar R, Dass N 1997 Phys. Rev. B 55 8042

    [5]

    [5]Parsafar G, Mason E A 1994 Phys. Rev. B 49 3049

    [6]

    [6]Baonza V G, Caceres M, Nunez J 1994 J. Phys. Chem. 98 4955

    [7]

    [7]Baonza V G, Caceres M, Nunez J 1995 Phys. Rev. B 51 28

    [8]

    [8]Baonza V G, Taravillo M, Caceres M, Nunez J 1996 Phys. Rev. B 53 5252

    [9]

    [9]Taravillo M, Baonza V G, Caceres M, Nunez J 1996 Phys. Rev. B 54 7034

    [10]

    ]Alchagirov A B, Perdew J P, Boet tger J C 2001 Phys. Rev. B 63 224115

    [11]

    ]Holzapfel W B 1996 Reps. Prog. Phys. 59 29

    [12]

    ]Holzapfel W B 2002 J. Phys.: Condens. Matter 14 10525

    [13]

    ]Holzapfel W B 2003 Phys. Rev. B 67 026102

    [14]

    ]Sun J X, Wu Q, Cai L C, Jing F Q 2005 J. Phys. Chem. Solids 66 773

    [15]

    ]Sun J X 2005 J. Phys.: Condens. Matter 17 L103

    [16]

    ]Sun J X, Wu Q, Cai L C, Jing F Q 2006 Physica B 371 257

    [17]

    ]Li J H, Dai X D, Liang S H, Tai K P, Kong Y, Liu B X 2008 Phys. Reports 455 1

    [18]

    ]Li J H, Liang S H, Guo H B, Liu B X 2007 J. Alloys and compounds 431 23

    [19]

    ]Li J H, Liang S H, Guo H B, Liu B X 2005 Appl. Phys. Lett. 87 194111

    [20]

    ]Xu J A 1976 Acta Phys. Sin. 25 324 (in Chinese)[徐继安 1976 物理学报 25 324]

    [21]

    ]Sun J X, Cai L C, Wu Q, Jing F Q 2000 Chin. Phys. 9 927

    [22]

    ]Sun J X, Wu Q, Cai L C, Jing F Q 2003 Chin. Phys. 12 632

    [23]

    ]Liu Z J, Cheng X L, Zhang H, Cai L C 2004 Chin. Phys. 13 384

    [24]

    ]Zhang Q L, Zhang P, Song H F, Liu H F 2008 Chin. Phys. B 17 1341

    [25]

    ]Jiang L H, Liu F S, Tian C L 2008 Acta Phys. Sin. 57 4412 (in Chinese)[姜礼华、 刘福生、 田春玲 2008 物理学报 57 4412]

    [26]

    ]Zhang C, Sun J X, Tian R G, Zhou SY 2007 Acta Phys. Sin. 56 5969 (in Chinese) [张超、 孙久勋、 田荣刚、 邹世勇 2007 物理学报 56 5969][27]Wang L G, Sun J X, Yang W 2008 Chin. Phys. B 17 1

    [27]

    ]Baskes M I 1992 Phys. Rev. B 46 2727

    [28]

    ]Cai J, Ye Y Y 1996 Phys. Rev. B 54 8398

    [29]

    ]Chantasiriwan S, Milstein F 1998 Phys. Rev. B 58 5996

    [30]

    ]Baskes M I 2000 Phys. Rev. B 62 15532

    [31]

    ]Xiang S K, Cai L C, Jing F Q 2004 Phys. Rev. B 70 174102

    [32]

    ]Xiang S K, Cai L C, Yan B, Jing F Q 2005 Phys. Rev. B 72 184102

    [33]

    ]Schlosser H, J Ferrante, Smith J R 1991 Phys. Rev. B 44 9696

    [34]

    ]Schlosser H, Ferrante J 1993 Phys. Rev. B 47 1073

    [35]

    ]Roy S B, Roy P B 2005 J. Phys.: Condens. Matter 17 6193

    [36]

    ]Roy S B, Roy P B 1999 J. Phys.: Condens. Matter 11 10375

    [37]

    ]Kennedy G C, Keeler R N 1972 American Institute of Physics Handbook, 3rd edn. (New York: McGraw-Hill) p438

  • [1]

    [1]Rose J H, Smith J R, Guinea F 1984 Phys. Rev. B 29 2963

    [2]

    [2]Vinet P, Smith J R, Ferrante J, Rose J H 1987 Phys. Rev. B 35 1945

    [3]

    [3]Stacey F D, Brennan B J, Irvine R D 1981 Geophys. Surveys 4 189

    [4]

    [4]Kuchhal P, Kumar R, Dass N 1997 Phys. Rev. B 55 8042

    [5]

    [5]Parsafar G, Mason E A 1994 Phys. Rev. B 49 3049

    [6]

    [6]Baonza V G, Caceres M, Nunez J 1994 J. Phys. Chem. 98 4955

    [7]

    [7]Baonza V G, Caceres M, Nunez J 1995 Phys. Rev. B 51 28

    [8]

    [8]Baonza V G, Taravillo M, Caceres M, Nunez J 1996 Phys. Rev. B 53 5252

    [9]

    [9]Taravillo M, Baonza V G, Caceres M, Nunez J 1996 Phys. Rev. B 54 7034

    [10]

    ]Alchagirov A B, Perdew J P, Boet tger J C 2001 Phys. Rev. B 63 224115

    [11]

    ]Holzapfel W B 1996 Reps. Prog. Phys. 59 29

    [12]

    ]Holzapfel W B 2002 J. Phys.: Condens. Matter 14 10525

    [13]

    ]Holzapfel W B 2003 Phys. Rev. B 67 026102

    [14]

    ]Sun J X, Wu Q, Cai L C, Jing F Q 2005 J. Phys. Chem. Solids 66 773

    [15]

    ]Sun J X 2005 J. Phys.: Condens. Matter 17 L103

    [16]

    ]Sun J X, Wu Q, Cai L C, Jing F Q 2006 Physica B 371 257

    [17]

    ]Li J H, Dai X D, Liang S H, Tai K P, Kong Y, Liu B X 2008 Phys. Reports 455 1

    [18]

    ]Li J H, Liang S H, Guo H B, Liu B X 2007 J. Alloys and compounds 431 23

    [19]

    ]Li J H, Liang S H, Guo H B, Liu B X 2005 Appl. Phys. Lett. 87 194111

    [20]

    ]Xu J A 1976 Acta Phys. Sin. 25 324 (in Chinese)[徐继安 1976 物理学报 25 324]

    [21]

    ]Sun J X, Cai L C, Wu Q, Jing F Q 2000 Chin. Phys. 9 927

    [22]

    ]Sun J X, Wu Q, Cai L C, Jing F Q 2003 Chin. Phys. 12 632

    [23]

    ]Liu Z J, Cheng X L, Zhang H, Cai L C 2004 Chin. Phys. 13 384

    [24]

    ]Zhang Q L, Zhang P, Song H F, Liu H F 2008 Chin. Phys. B 17 1341

    [25]

    ]Jiang L H, Liu F S, Tian C L 2008 Acta Phys. Sin. 57 4412 (in Chinese)[姜礼华、 刘福生、 田春玲 2008 物理学报 57 4412]

    [26]

    ]Zhang C, Sun J X, Tian R G, Zhou SY 2007 Acta Phys. Sin. 56 5969 (in Chinese) [张超、 孙久勋、 田荣刚、 邹世勇 2007 物理学报 56 5969][27]Wang L G, Sun J X, Yang W 2008 Chin. Phys. B 17 1

    [27]

    ]Baskes M I 1992 Phys. Rev. B 46 2727

    [28]

    ]Cai J, Ye Y Y 1996 Phys. Rev. B 54 8398

    [29]

    ]Chantasiriwan S, Milstein F 1998 Phys. Rev. B 58 5996

    [30]

    ]Baskes M I 2000 Phys. Rev. B 62 15532

    [31]

    ]Xiang S K, Cai L C, Jing F Q 2004 Phys. Rev. B 70 174102

    [32]

    ]Xiang S K, Cai L C, Yan B, Jing F Q 2005 Phys. Rev. B 72 184102

    [33]

    ]Schlosser H, J Ferrante, Smith J R 1991 Phys. Rev. B 44 9696

    [34]

    ]Schlosser H, Ferrante J 1993 Phys. Rev. B 47 1073

    [35]

    ]Roy S B, Roy P B 2005 J. Phys.: Condens. Matter 17 6193

    [36]

    ]Roy S B, Roy P B 1999 J. Phys.: Condens. Matter 11 10375

    [37]

    ]Kennedy G C, Keeler R N 1972 American Institute of Physics Handbook, 3rd edn. (New York: McGraw-Hill) p438

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  • Received Date:  14 February 2009
  • Accepted Date:  17 September 2009
  • Published Online:  15 May 2010

Universal equation of state for alkali halide solids

  • 1. (1)兰州大学核科学与技术学院现代物理系,兰州 730000; (2)中国工程物理研究院流体物理研究所冲击波与爆轰物理实验室,绵阳 621900; (3)中国工程物理研究院流体物理研究所冲击波与爆轰物理实验室,绵阳 621900;电子科技大学物理电子学院应用物理系,成都 610054; (4)中国工程物理研究院流体物理研究所冲击波与爆轰物理实验室,绵阳 621900;兰州大学核科学与技术学院现代物理系,兰州 730000

Abstract: A universal equation of state for solids is proposed. The equation exactly accounts for the cohesive energy; no physically incorrect oscillations exists, and its action is correct in both high pressure and expanded regions. The new equation and several typical equations in literature are applied to 15 alkali halide solids, and one alkaline earth oxide. The results show that the new equation can well fit experimental data, and can give correct cohesive energy. The parameters determined from the Vinet and Morse equations are sensitive to the data range, whereas the new equation is not . This implies that the applicability of new equation is better than the Vinet and Morse equations.

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