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掺Gd3+钼酸盐AMoO4 (A=Ca, Sr, Ba, Pb)自旋哈密顿参量的理论计算

杨维清 张胤 高敏 林媛 赵小云

掺Gd3+钼酸盐AMoO4 (A=Ca, Sr, Ba, Pb)自旋哈密顿参量的理论计算

杨维清, 张胤, 高敏, 林媛, 赵小云
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  • 采用基于单电子晶体场机制的对角化能量矩阵方法, 计算了Gd3+在钼酸盐AMoO4 (A=Ca, Sr, Ba, Pb)晶体中的自旋哈密顿参量(g因子g//, g⊥和零场分裂b20, b40, b44, b60, b64). 矩阵中的晶体场参量采用重叠模型计算. 计算结果显示, 应用三个合理的可调参量[即重叠模型中的内禀参量A2 (R0), A4 (R0)和A6 (R0)], 计算的七个自旋哈密顿参量与实验结果符合甚好, 表明该方法可用于计算或解释Gd3+在晶体中的自旋哈密顿参量.
    • 基金项目: 国家自然科学基金(批准号:11028409,51202023)、中国博士后科学基金(批准号:2012M511917)和成都信息工程学院科研基金(批准号:2012M511917)资助的课题.
    [1]

    Han Y F, Li J Z, Chen Z Q, Lin L, Li B, Wang G F 2009 J. Synth. Cryst. 38 190 (in Chinese) [韩永飞, 李景照, 陈振强, 林浪, 李兵, 王国富 2009 人工晶体学报 38 190]

    [2]

    Chung J H, Ryu J H, Eun J W, Lee J H, Lee S Y, Heo T H, Chol B G, Shim K B 2012 J. Alloys Comp. 522 30

    [3]

    Cao X Q, Wei T, Chen Y H, Yin M, Guo C X, Zhang W P 2011 J. Rare Earths 29 1029

    [4]

    Tang H X, Lü S C 2011 Acta Phys. Sin. 60 037805 (in Chinese) [唐红霞, 吕树臣 2011 物理学报 60 037805]

    [5]

    Sun J Y, Cao C, Du H Y 2011 Acta Phys. Sin. 60 127801 (in Chinese) [孙家跃, 曹纯, 杜海燕 2011 物理学报 60 127801]

    [6]

    Yang W Q, Liu H G, Liu G K, Lin Y, Gao M, Zhao X Y, Zheng W C, Chen Y, Xu J, Li L Z 2012 Acta Mater. 60 5399

    [7]

    Gavalli E, Angiuli F, Boutinaud P, Mahiou R 2012 J. Solid State Chem. 185 136

    [8]

    Trabelsi I, Dammak M, Maalej R, Kammoun M 2011 Physica B 406 315

    [9]

    Wishwamittar, Puri S P 1974 J. Chem. Phys. 61 3720

    [10]

    Kurkin I N, Tsvetkov E A 1970 Sov. Phys. Solid State 11 3027

    [11]

    Rosa J, Asatryan H R, Nikl M 1996 Phys. Status Solidi A 158 573

    [12]

    Meilman M L, Slovev N V 1965 Sov. Phys. Solid State 7 2512

    [13]

    Kurkin I N, Stepanov V G 1965 Sov. Phys. Solid State 7 223

    [14]

    Meilman M L, Samoilovich M I, Potkin L I, Sergeeva N I 1967 Sov. Phys. Solid State 8 1864

    [15]

    Kurkin T N, Shekun L Y 1965 Sov. Phys. Solid State 6 1560

    [16]

    Newman D J, Urban W 1975 Adv. Phys. 24 793

    [17]

    Wybourne B G 1966 Phys. Rev. 148 317

    [18]

    Newman D J, Ng B 1989 Rep. Prog. Phys. 52 699

    [19]

    Siu G G, Newman D J 1982 J. Phys. C: Solid State Phys. 15 6753

    [20]

    Newman D J, Ng Betty 2000 Crystal Field Handbook (Cambridge: Cambridge University Press) p83

    [21]

    Chen X Y, Luo Z D 1999 Chin. Phys. 8 607

    [22]

    Zheng W C, Yang W Q, Liu H G 2011 Phil. Mag. 91 4045

    [23]

    Yang W Q, Zheng W C 2011 Spectrochim. Acta A 79 1291

    [24]

    Yang W Q, Lin Y, Zheng W C, Zhao X Y 2012 Supercond. Sci. Technol. 25 065011

    [25]

    Garmen E, Daniels E, King J S 1971 J. Chem. Phys. 55 1093

    [26]

    Nassif V, Carbonio R E 1999 J. Solid State Chem. 146 266

    [27]

    Buckmaster H A, Shing Y H 1972 Phys. Status Solidi A 12 325

    [28]

    Gschneidner K A, Eyring J L 1996 Handbook of the Physics and Chemistry of Rare Earths (Vol. 23) (Amsterdam: Elsevier) p155

    [29]

    Abragam A, Bleaney B 1970 Electron Paramagnetic Resonance of Transition Ions (London: Oxford University Press) p18, 277

    [30]

    Zhang S Y 2008 Spectroscopy of Rare Earth Ions (Beijing: Science Press) (in Chinese) [张思远 2008 稀土离子光谱学(北京: 科学出版社)]

    [31]

    Bravo D, Lepez F J 1993 J. Chem. Phys. 99 4952

    [32]

    Brito H F, Liu G K 2000 J. Chem. Phys. 112 4334

    [33]

    Hutchison C A, Judd B R, Pope D F D 1959 Proc. Phys. Soc. B 70 514

    [34]

    Magnani N, Amoretti G, Baraldi A, Capelletti R 2002 Eur. Phys. J. B 29 79

    [35]

    Magnani N, Amoretti G, Baraldi A, Capelletti R 2002 Radiat. Eff. Defect. Solids 157 921

    [36]

    Lide D R 2003 CRC Handbook of Chemistry and Physics (84th) (Boca Raton: CRC Press) pp12-14

    [37]

    Zheng W C 1995 Physica B 215 255

    [38]

    Newman D J 1977 Aust. J. Phys. 30 315

    [39]

    Liu H G, Zheng W C, Feng W L 2008 Phil. Mag. 88 3075

    [40]

    Yang W Q, Zheng W C 2011 Spectrochim. Acta A 79 1291

  • [1]

    Han Y F, Li J Z, Chen Z Q, Lin L, Li B, Wang G F 2009 J. Synth. Cryst. 38 190 (in Chinese) [韩永飞, 李景照, 陈振强, 林浪, 李兵, 王国富 2009 人工晶体学报 38 190]

    [2]

    Chung J H, Ryu J H, Eun J W, Lee J H, Lee S Y, Heo T H, Chol B G, Shim K B 2012 J. Alloys Comp. 522 30

    [3]

    Cao X Q, Wei T, Chen Y H, Yin M, Guo C X, Zhang W P 2011 J. Rare Earths 29 1029

    [4]

    Tang H X, Lü S C 2011 Acta Phys. Sin. 60 037805 (in Chinese) [唐红霞, 吕树臣 2011 物理学报 60 037805]

    [5]

    Sun J Y, Cao C, Du H Y 2011 Acta Phys. Sin. 60 127801 (in Chinese) [孙家跃, 曹纯, 杜海燕 2011 物理学报 60 127801]

    [6]

    Yang W Q, Liu H G, Liu G K, Lin Y, Gao M, Zhao X Y, Zheng W C, Chen Y, Xu J, Li L Z 2012 Acta Mater. 60 5399

    [7]

    Gavalli E, Angiuli F, Boutinaud P, Mahiou R 2012 J. Solid State Chem. 185 136

    [8]

    Trabelsi I, Dammak M, Maalej R, Kammoun M 2011 Physica B 406 315

    [9]

    Wishwamittar, Puri S P 1974 J. Chem. Phys. 61 3720

    [10]

    Kurkin I N, Tsvetkov E A 1970 Sov. Phys. Solid State 11 3027

    [11]

    Rosa J, Asatryan H R, Nikl M 1996 Phys. Status Solidi A 158 573

    [12]

    Meilman M L, Slovev N V 1965 Sov. Phys. Solid State 7 2512

    [13]

    Kurkin I N, Stepanov V G 1965 Sov. Phys. Solid State 7 223

    [14]

    Meilman M L, Samoilovich M I, Potkin L I, Sergeeva N I 1967 Sov. Phys. Solid State 8 1864

    [15]

    Kurkin T N, Shekun L Y 1965 Sov. Phys. Solid State 6 1560

    [16]

    Newman D J, Urban W 1975 Adv. Phys. 24 793

    [17]

    Wybourne B G 1966 Phys. Rev. 148 317

    [18]

    Newman D J, Ng B 1989 Rep. Prog. Phys. 52 699

    [19]

    Siu G G, Newman D J 1982 J. Phys. C: Solid State Phys. 15 6753

    [20]

    Newman D J, Ng Betty 2000 Crystal Field Handbook (Cambridge: Cambridge University Press) p83

    [21]

    Chen X Y, Luo Z D 1999 Chin. Phys. 8 607

    [22]

    Zheng W C, Yang W Q, Liu H G 2011 Phil. Mag. 91 4045

    [23]

    Yang W Q, Zheng W C 2011 Spectrochim. Acta A 79 1291

    [24]

    Yang W Q, Lin Y, Zheng W C, Zhao X Y 2012 Supercond. Sci. Technol. 25 065011

    [25]

    Garmen E, Daniels E, King J S 1971 J. Chem. Phys. 55 1093

    [26]

    Nassif V, Carbonio R E 1999 J. Solid State Chem. 146 266

    [27]

    Buckmaster H A, Shing Y H 1972 Phys. Status Solidi A 12 325

    [28]

    Gschneidner K A, Eyring J L 1996 Handbook of the Physics and Chemistry of Rare Earths (Vol. 23) (Amsterdam: Elsevier) p155

    [29]

    Abragam A, Bleaney B 1970 Electron Paramagnetic Resonance of Transition Ions (London: Oxford University Press) p18, 277

    [30]

    Zhang S Y 2008 Spectroscopy of Rare Earth Ions (Beijing: Science Press) (in Chinese) [张思远 2008 稀土离子光谱学(北京: 科学出版社)]

    [31]

    Bravo D, Lepez F J 1993 J. Chem. Phys. 99 4952

    [32]

    Brito H F, Liu G K 2000 J. Chem. Phys. 112 4334

    [33]

    Hutchison C A, Judd B R, Pope D F D 1959 Proc. Phys. Soc. B 70 514

    [34]

    Magnani N, Amoretti G, Baraldi A, Capelletti R 2002 Eur. Phys. J. B 29 79

    [35]

    Magnani N, Amoretti G, Baraldi A, Capelletti R 2002 Radiat. Eff. Defect. Solids 157 921

    [36]

    Lide D R 2003 CRC Handbook of Chemistry and Physics (84th) (Boca Raton: CRC Press) pp12-14

    [37]

    Zheng W C 1995 Physica B 215 255

    [38]

    Newman D J 1977 Aust. J. Phys. 30 315

    [39]

    Liu H G, Zheng W C, Feng W L 2008 Phil. Mag. 88 3075

    [40]

    Yang W Q, Zheng W C 2011 Spectrochim. Acta A 79 1291

  • 引用本文:
    Citation:
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  • PDF下载量:  373
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出版历程
  • 收稿日期:  2012-07-20
  • 修回日期:  2012-09-20
  • 刊出日期:  2013-02-05

掺Gd3+钼酸盐AMoO4 (A=Ca, Sr, Ba, Pb)自旋哈密顿参量的理论计算

  • 1. 电子科技大学电子薄膜与集成电路国家重点实验室, 成都 610054;
  • 2. 成都信息工程学院光电技术系, 成都 610225
    基金项目: 

    国家自然科学基金(批准号:11028409,51202023)、中国博士后科学基金(批准号:2012M511917)和成都信息工程学院科研基金(批准号:2012M511917)资助的课题.

摘要: 采用基于单电子晶体场机制的对角化能量矩阵方法, 计算了Gd3+在钼酸盐AMoO4 (A=Ca, Sr, Ba, Pb)晶体中的自旋哈密顿参量(g因子g//, g⊥和零场分裂b20, b40, b44, b60, b64). 矩阵中的晶体场参量采用重叠模型计算. 计算结果显示, 应用三个合理的可调参量[即重叠模型中的内禀参量A2 (R0), A4 (R0)和A6 (R0)], 计算的七个自旋哈密顿参量与实验结果符合甚好, 表明该方法可用于计算或解释Gd3+在晶体中的自旋哈密顿参量.

English Abstract

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