Search

Article

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

Correlations between the valence electron structure and melt pointing and cohesive energies of rare earth metals

Meng Zhen-Hua Li Jun-Bin Guo Yong-Quan Wang Yi

Citation:

Correlations between the valence electron structure and melt pointing and cohesive energies of rare earth metals

Meng Zhen-Hua, Li Jun-Bin, Guo Yong-Quan, Wang Yi
PDF
Get Citation

(PLEASE TRANSLATE TO ENGLISH

BY GOOGLE TRANSLATE IF NEEDED.)

  • Rare earth element is one kind of strategic materials. Some rare earth elements have been industrialized. They play major roles in permanent magnetism material, lightening, catalysis and hydrogen storage material. In order to understand the rare earth elements more, it is necessary to study the structures of the valence electrons and atoms of them. The valence electron structures and properties of yttrium, scandium and lanthanum group rare earth elements are studied with the empirical electron theory (EET). Based on the valence electron parameters, the melting points and cohesive energies of these rare earth elements are calculated. The calculations accord with those of the measurements. According to the analyses of EET, the structures and the physical properties of rare earth elements depend on the electron emission or transformation between the lattice-electrons and coherent electrons in outer orbital. It is exhibited that the melting point tends to increase with the lattice electron-covalent electron transformation, however, the valence status of rare earth element affects significantly the electron distribution and property. The covalent electron hoppings occur at divalent europium, ytterbium and samarium, and their melting points are related to the electron transformation covalence-electrons. It is different from the others with trivalent status. The theoretical analysis reveals that the cohesive energy is related to the 4f electrons. The contribution to cohesive energy increases with the number of 4f electrons increasing, which may be due to the shrinking effect of the atomic radius for the lanthanum group. The study implies that the characteriscs of rare earth element are due to the relation between their melt pointing and conhesive energy and electronic structure.
    • Funds: Project supported by the National Natural Science Foundation of China (Grant No. 51141006).
    [1]

    Liang Y C, Guo J T, Zhou L Z, Xie Y, Hu Z Q 2008 Acta Metal. Sin. 44 535 (in Chinese) [梁泳纯, 郭建亭, 周兰章, 谢亿, 胡壮麒 2008 金属学报 44 535]

    [2]

    Wang B, Liu Q Y, Bao X P, Weng Y, Wang X D, Jia S J, Dong H 2008 Acta Metal. Sin. 44 863 (in Chinese) [汪兵, 刘青友, 毛新平, 翁羽, 王向东, 贾书君, 董瀚 2008 金属学报 44 863]

    [3]

    Wu W X, Guo Y Q, Li A H, Li W 2008 Acta Phys. Sin. 57 2486 (in Chinese) [吴文霞, 郭永权, 李安华, 李卫 2008 物理学报 57 2486]

    [4]

    Jin X, Zhang X D, Lei Z F, Xiong S Z, Song F, Zhao Y 2008 Acta Phys. Sin. 57 4580 (in Chinese) [金鑫, 张晓丹, 雷志芳, 熊绍珍, 宋峰, 赵颖 2008 物理学报 57 4580]

    [5]

    Zhang X S, Zheng H R, He E J, Cai X Y, Zhu G Q, Gao D L, Qu S X 2009 Chin. Sci. Bull. 54 1222 (in Chinese) [张喜生, 郑海荣, 何恩节, 蔡晓燕, 朱刚强, 高当丽, 屈世显 2009 科学通报 54 1222]

    [6]

    Wu Y X, Hu X Z, Gu S L, Qu L C, Li T, Zhang H 2011 Acta Phys. Sin. 60 017101 (in Chinese) [吴玉喜, 胡智向, 顾书林, 渠立成, 李腾, 张昊 2011 物理学报 60 017101

    [7]

    Romaka L, Romaka V V, Stadnyk Y, Demchenko P 2010 J. Alloys Compounds. 505 70

    [8]

    Mohanta S K, Mishra S N, Srivastava S K, Rots M 2010 Solid State Commun. 150 1789

    [9]

    Yu R H 1978 Chin. Sci. Bull. 23 217 (in Chinese) [余瑞璜 1978 科学通报 23 217]

    [10]

    Pauling L 1966 The Nature of the Chemical Bond (New York: Comell University Press) p384

    [11]

    Zhang R L 1993 The Empirical Electron Theory of Solids and Molecules (Changchun: Jilin Science and Technology Press) p68 (in Chinese) [张瑞林 1993 固体与分子经验电子理论(长春:吉林科学技术出版社) 第68页]

    [12]

    Guo Y Q, Yu R H, Zhang R L, Zhang X H, Tao K 1998 Phys. Chem. B 102 9

    [13]

    Fu B Q, Liu W, Li Z L 2010 Appl. Surf. Sci. 256 6899

    [14]

    Mi G B, Li P J, He L J 2011 Rare Metal Mater. Eng. 39 11

    [15]

    Ye Y C, Li P J, He L J 2010 Intermetallics 18 465

    [16]

    Fu B Q, Liu W, Li Z L 2009 Appl. Surf. Sci. 255 9348

    [17]

    Huang K 1985 Solid State Physics (Beijing: Higher Education Press) p16 (in Chinese) [黄昆 1985 固体物理学(北京:高等教育出版社) 第16页]

    [18]

    Kittel C 2005 Introduction to Solid State Physics (Beijing: Chemical Industry Press) pp94-114 (in Chinese) [基泰尔著, 项金钟, 吴兴惠译 2005 固体物理导论(北京:化学工业出版社) 第94-114页]

    [19]

    Nagasaki S 2004 Binary Alloy State Atlas (Beijing: Metallurgical Industry Press) p79 (in Chinese) [长崎诚三著, 刘安生译 2004 二元合金状态图集(北京: 冶金工业出版社) 第79页]

  • [1]

    Liang Y C, Guo J T, Zhou L Z, Xie Y, Hu Z Q 2008 Acta Metal. Sin. 44 535 (in Chinese) [梁泳纯, 郭建亭, 周兰章, 谢亿, 胡壮麒 2008 金属学报 44 535]

    [2]

    Wang B, Liu Q Y, Bao X P, Weng Y, Wang X D, Jia S J, Dong H 2008 Acta Metal. Sin. 44 863 (in Chinese) [汪兵, 刘青友, 毛新平, 翁羽, 王向东, 贾书君, 董瀚 2008 金属学报 44 863]

    [3]

    Wu W X, Guo Y Q, Li A H, Li W 2008 Acta Phys. Sin. 57 2486 (in Chinese) [吴文霞, 郭永权, 李安华, 李卫 2008 物理学报 57 2486]

    [4]

    Jin X, Zhang X D, Lei Z F, Xiong S Z, Song F, Zhao Y 2008 Acta Phys. Sin. 57 4580 (in Chinese) [金鑫, 张晓丹, 雷志芳, 熊绍珍, 宋峰, 赵颖 2008 物理学报 57 4580]

    [5]

    Zhang X S, Zheng H R, He E J, Cai X Y, Zhu G Q, Gao D L, Qu S X 2009 Chin. Sci. Bull. 54 1222 (in Chinese) [张喜生, 郑海荣, 何恩节, 蔡晓燕, 朱刚强, 高当丽, 屈世显 2009 科学通报 54 1222]

    [6]

    Wu Y X, Hu X Z, Gu S L, Qu L C, Li T, Zhang H 2011 Acta Phys. Sin. 60 017101 (in Chinese) [吴玉喜, 胡智向, 顾书林, 渠立成, 李腾, 张昊 2011 物理学报 60 017101

    [7]

    Romaka L, Romaka V V, Stadnyk Y, Demchenko P 2010 J. Alloys Compounds. 505 70

    [8]

    Mohanta S K, Mishra S N, Srivastava S K, Rots M 2010 Solid State Commun. 150 1789

    [9]

    Yu R H 1978 Chin. Sci. Bull. 23 217 (in Chinese) [余瑞璜 1978 科学通报 23 217]

    [10]

    Pauling L 1966 The Nature of the Chemical Bond (New York: Comell University Press) p384

    [11]

    Zhang R L 1993 The Empirical Electron Theory of Solids and Molecules (Changchun: Jilin Science and Technology Press) p68 (in Chinese) [张瑞林 1993 固体与分子经验电子理论(长春:吉林科学技术出版社) 第68页]

    [12]

    Guo Y Q, Yu R H, Zhang R L, Zhang X H, Tao K 1998 Phys. Chem. B 102 9

    [13]

    Fu B Q, Liu W, Li Z L 2010 Appl. Surf. Sci. 256 6899

    [14]

    Mi G B, Li P J, He L J 2011 Rare Metal Mater. Eng. 39 11

    [15]

    Ye Y C, Li P J, He L J 2010 Intermetallics 18 465

    [16]

    Fu B Q, Liu W, Li Z L 2009 Appl. Surf. Sci. 255 9348

    [17]

    Huang K 1985 Solid State Physics (Beijing: Higher Education Press) p16 (in Chinese) [黄昆 1985 固体物理学(北京:高等教育出版社) 第16页]

    [18]

    Kittel C 2005 Introduction to Solid State Physics (Beijing: Chemical Industry Press) pp94-114 (in Chinese) [基泰尔著, 项金钟, 吴兴惠译 2005 固体物理导论(北京:化学工业出版社) 第94-114页]

    [19]

    Nagasaki S 2004 Binary Alloy State Atlas (Beijing: Metallurgical Industry Press) p79 (in Chinese) [长崎诚三著, 刘安生译 2004 二元合金状态图集(北京: 冶金工业出版社) 第79页]

  • [1] Zhang Jian, Wang Xin-Qiao, Su Tong, Chen Ying, Guo Yong-Quan. Calculation of thermic and electric properties and valence electron structure for metallic electrodes of Na||Sb-Pb-Sn liquid metal battery. Acta Physica Sinica, 2021, 70(8): 083101. doi: 10.7498/aps.70.20201624
    [2] Fang Yu-Zhen, Kong Xiang-Jin, Wang Dong-Ting, Cui Shou-Xin, Liu Jun-Hai. First principle study of electron and band structure of BixBa1-xTiO3. Acta Physica Sinica, 2018, 67(11): 117101. doi: 10.7498/aps.67.20172644
    [3] Ma Lei, Yin Yao-Peng, Ding Xiao-Bin, Dong Chen-Zhong. Structures and properties of Np(NO3)nq (n=16, q=-2+3) coordination compound. Acta Physica Sinica, 2017, 66(6): 063101. doi: 10.7498/aps.66.063101
    [4] Xiong Hui-Hui, Zhang Hui-Ning. First-principles investigation on partitioning behavior of rare earth elements between α-Fe and Fe3C. Acta Physica Sinica, 2016, 65(24): 248101. doi: 10.7498/aps.65.248101
    [5] Zhao Feng-Qi, Zhang Min, Li Zhi-Qiang, Ji Yan-Ming. Effects of optical phonon and built-in electric field on the binding energy of bound polarons in a wurtzite In0.19Ga0.81N/GaN quantum well. Acta Physica Sinica, 2014, 63(17): 177101. doi: 10.7498/aps.63.177101
    [6] Wang Wen-Juan, Wang Hai-Long, Gong Qian, Song Zhi-Tang, Wang Hui, Feng Song-Lin. External electric field effect on exciton binding energy in InGaAsP/InP quantum wells. Acta Physica Sinica, 2013, 62(23): 237104. doi: 10.7498/aps.62.237104
    [7] Li Hong-Lin, Zhang Zhong, Lü Ying-Bo, Huang Jin-Zhao, Zhang Ying, Liu Ru-Xi. First principles study on the electronic and optical properties of ZnO doped with rare earth. Acta Physica Sinica, 2013, 62(4): 047101. doi: 10.7498/aps.62.047101
    [8] Deng Yong-He, Liu Jing-Shuo. Formation abilities and electronic properties of Mg-TM-H (TM = Sc, Ti, V, Y, Zr, Nb) crystal. Acta Physica Sinica, 2011, 60(11): 117102. doi: 10.7498/aps.60.117102
    [9] Xu Ben-Fu, Yang Chuan-Lu, Tong Xiao-Fei, Wang Mei-Shan, Ma Xiao-Guang, Wang De-Hua. Geometry, electronic properties and magnetism of FenO+m(n+m=4) clusters. Acta Physica Sinica, 2010, 59(11): 7845-7849. doi: 10.7498/aps.59.7845
    [10] Zhang Zhu-Xia, Zhao Yan-Liang, Yan Xin, Han Pei-De, Liu Xu-Guang, Hao Yu-Ying, Xu Bing-She. First principles calculations of structure and the electronic properties of fullerene derivative phenyl-C71-butyric acid methyl ester. Acta Physica Sinica, 2009, 58(13): 204-S209. doi: 10.7498/aps.58.204
    [11] Wu Wen-Xia, Guo Yong-Quan, Li An-Hua, Li Wei. Analysis of valence electron structures and calculation of magnetic properties of Nd2Fe14B. Acta Physica Sinica, 2008, 57(4): 2486-2492. doi: 10.7498/aps.57.2486
    [12] Liu Gui-Li, Li Rong-De. Ordering and interaction of Fe and RE atoms on grain boundaries in ZA27 alloys. Acta Physica Sinica, 2006, 55(2): 776-779. doi: 10.7498/aps.55.776
    [13] Liu Gui-Li. Electronic theoretical study on the influence of rare earth on the stress corrosion in magnesium alloy. Acta Physica Sinica, 2006, 55(12): 6570-6573. doi: 10.7498/aps.55.6570
    [14] Wang Hong-Yan, Li Xi-Bo, Tang Yong-Jian, Chen Xiao-Hong, Wang Chao-Yang, Zhu Zheng-He. Structures and stabilities of AunXm(n+m=4,X=Cu, Al, Y) clusters. Acta Physica Sinica, 2005, 54(8): 3565-3570. doi: 10.7498/aps.54.3565
    [15] Lu Yun-Hao, Duan Xiao-Bang, Lü Ping, Zhang Han-Jie, Li Hai-Yang, Bao Shi-Ning, He Pi-Mo. UPS study of tri(β-naphthyl) phosphine overlayer on Ag(110). Acta Physica Sinica, 2005, 54(9): 4319-4323. doi: 10.7498/aps.54.4319
    [16] Liu Gui-Li, Li Rong-De. Segregation and interaction of rare earth and iron elements on grain boundaries in ZA27 alloys. Acta Physica Sinica, 2004, 53(10): 3482-3486. doi: 10.7498/aps.53.3482
    [17] Lü Jin, Xu Xiao-Hong, Wu Hai-Shun. Structure and magnetism of 3d series (TM)4 clusters. Acta Physica Sinica, 2004, 53(4): 1050-1055. doi: 10.7498/aps.53.1050
    [18] Xu Bei-Xue, Wu Jin-Lei, Shao Qing-Yi, Zhang Zhao-Xiang, Liu Wei-Min, Xue Zeng-Quan, Wu Quan-De. . Acta Physica Sinica, 2002, 51(5): 1103-1107. doi: 10.7498/aps.51.1103
    [19] Lv Bin, Lv Ping, Shi Shen-Lei, Zhang Jian-Hua, Tang Jian-Xin, Lou Hui, He Pi-Mo, Bao Shi-Ning. . Acta Physica Sinica, 2002, 51(11): 2644-2648. doi: 10.7498/aps.51.2644
    [20] XU BEI-XUE, WU JUN-LEI, LIU WEI-MIN, YANY HAI, SHAO QING-YI, LIU SHENG, XUE ZENG-QUAN, WU QUAN-DE. ENHANCED PHOTOEMISSION FROM METAL NANOPARTICLE COMPOSITE THIN FILMS (Ag-BaO) DOPED WITH RARE-EARTH ELEMENTS . Acta Physica Sinica, 2001, 50(5): 977-980. doi: 10.7498/aps.50.977
Metrics
  • Abstract views:  12666
  • PDF Downloads:  1230
  • Cited By: 0
Publishing process
  • Received Date:  07 June 2011
  • Accepted Date:  28 May 2012
  • Published Online:  05 May 2012

/

返回文章
返回