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AlFe单晶薄膜微结构与热力学性质研究

王锋 吴卫东 唐永建

AlFe单晶薄膜微结构与热力学性质研究

王锋, 吴卫东, 唐永建
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  • 采用PLD方法,在573 K条件下制备了AlFe单晶合金薄膜.X射线衍射与透射电子衍射表明,AlFe空间点群为PM-3M,晶格常数a =0.297 nm (略大于bcc-Fe的晶格常数,a =0.293 nm),且AlFe晶体结构为bcc-Fe晶格体心Fe原子被Al取代产生的新结构.采用第一性原理与准谐德拜模型研究了AlFe合金的化学势与热力学性能,计算表明AlFe合金具有更低的化学势,导致在生长过程只出现AlFe相.与此同时,AlFe合金具有与bc
    • 基金项目: 国家自然科学基金(批准号:10804101)、等离子体国防科技重点实验室基金(批准号:9140C6805020806)和国家重点基础发展计划项目(批准号:2007CB815102)资助的课题.
    [1]

    [1]Lindl J D, McCrory R L, Campbell E M 1992 Phys. Today 45 32

    [2]

    [2]Nuckolls J H, Wood L, Thiessen A, Zimmerman G 1972 Nature 239 129

    [3]

    [3]John Lindl 1995 Phys. Plasmas 2 3933

    [4]

    [4]Chenais-Popovics C, Fajardo M, Gilleron F, Teubner U, Gauthier J C 2001 Phys. Rev. E 65 016413

    [5]

    [5]Chenais-Popovicsa C, Fajardo M, Thaisb, Gillerona F, Gauthiera J C, Eidmannc K, F?lsnerc W, Blenskib T, Perrotd F, Bauche-Arnoulte C, Bacheliere A, Bauchee J 2001 J. Quan. Spec & Radi Transfer 71 249

    [6]

    [6]Rajivk S, Noncryst J 1994 Solids 78 199

    [7]

    [7]Kahl S, Krebs H U 2001 Phys. Rev. B 63 172103

    [8]

    [8]Shen J, Zheng G, Kischner J 2004 Surf. Sci. Reports 52 163

    [9]

    [9]Bailey J E, Rochau G A, Mancini R C, Iglesias C A, Macfarlane J J, Golovkin I E, Blancard C, Cosse Ph, Faussurier G 2009 Phys. Plasmas 16 058101

    [10]

    ]Blanco M A, Francisco E, Luaa V 2004 Computer. Phys. Communications 158 57

    [11]

    ]Maradudin A A, Montroll E W, Weiss G H, Ipatova I P 1971 Theory of lattice dynamics in the harmonic approximation (New York: Academic Press)

    [12]

    ]Wu Z Q, Wang B 2001 Film Growth (Beijin: Science press) First edition (in Chinese) [吴自勤、王兵 2001 薄膜生长 (北京: 科学出版社), 第一版]

    [13]

    ]Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865

    [14]

    ]Hammer B, Hansen L B, Norskov J K 1999 Phys. Rev. B 59 7413

    [15]

    ]Chang J, Chen X R, Zhang W, Zhu J 2008 Chin. Phys. B 17 1377

    [16]

    ]Ai Q, Fu Z J, Cheng Y, Chen X R 2008 Chin. Phys. B 17 2639

    [17]

    ]Blanco M A, Martín Pendás A, Francisco E, Recio J M, Franco R 1996 J. Mol. Struct (Theochem) 368 245

    [18]

    ]Flórez M, Recio J M, Francisco E, Blanco M A, Martín Pendás A 2002 Phys. Rev. B 66 144112

    [19]

    ]Poiier J P 1991 Introduction to the Physics of the Earth’s Interior (England: Cambridge University Press)

    [20]

    ]Francisco E, Recio J M, Blanco M A, Martín Pendás A1998 J. Phys. Chem. 102 1595

    [21]

    ]Francisco E, Sanjurjo G, Blanco M A 2001 Phys. Rev. B 63 094107

    [22]

    ]Gray D E 1972 American Institute of Physics Handbook (New York: McGraw-Hill Book Company), third edition

    [23]

    ]Ihsan B 1995, Thermochemical Data of Pure Substances (WILEY-VCH Verlag GmbH), third edition

  • [1]

    [1]Lindl J D, McCrory R L, Campbell E M 1992 Phys. Today 45 32

    [2]

    [2]Nuckolls J H, Wood L, Thiessen A, Zimmerman G 1972 Nature 239 129

    [3]

    [3]John Lindl 1995 Phys. Plasmas 2 3933

    [4]

    [4]Chenais-Popovics C, Fajardo M, Gilleron F, Teubner U, Gauthier J C 2001 Phys. Rev. E 65 016413

    [5]

    [5]Chenais-Popovicsa C, Fajardo M, Thaisb, Gillerona F, Gauthiera J C, Eidmannc K, F?lsnerc W, Blenskib T, Perrotd F, Bauche-Arnoulte C, Bacheliere A, Bauchee J 2001 J. Quan. Spec & Radi Transfer 71 249

    [6]

    [6]Rajivk S, Noncryst J 1994 Solids 78 199

    [7]

    [7]Kahl S, Krebs H U 2001 Phys. Rev. B 63 172103

    [8]

    [8]Shen J, Zheng G, Kischner J 2004 Surf. Sci. Reports 52 163

    [9]

    [9]Bailey J E, Rochau G A, Mancini R C, Iglesias C A, Macfarlane J J, Golovkin I E, Blancard C, Cosse Ph, Faussurier G 2009 Phys. Plasmas 16 058101

    [10]

    ]Blanco M A, Francisco E, Luaa V 2004 Computer. Phys. Communications 158 57

    [11]

    ]Maradudin A A, Montroll E W, Weiss G H, Ipatova I P 1971 Theory of lattice dynamics in the harmonic approximation (New York: Academic Press)

    [12]

    ]Wu Z Q, Wang B 2001 Film Growth (Beijin: Science press) First edition (in Chinese) [吴自勤、王兵 2001 薄膜生长 (北京: 科学出版社), 第一版]

    [13]

    ]Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865

    [14]

    ]Hammer B, Hansen L B, Norskov J K 1999 Phys. Rev. B 59 7413

    [15]

    ]Chang J, Chen X R, Zhang W, Zhu J 2008 Chin. Phys. B 17 1377

    [16]

    ]Ai Q, Fu Z J, Cheng Y, Chen X R 2008 Chin. Phys. B 17 2639

    [17]

    ]Blanco M A, Martín Pendás A, Francisco E, Recio J M, Franco R 1996 J. Mol. Struct (Theochem) 368 245

    [18]

    ]Flórez M, Recio J M, Francisco E, Blanco M A, Martín Pendás A 2002 Phys. Rev. B 66 144112

    [19]

    ]Poiier J P 1991 Introduction to the Physics of the Earth’s Interior (England: Cambridge University Press)

    [20]

    ]Francisco E, Recio J M, Blanco M A, Martín Pendás A1998 J. Phys. Chem. 102 1595

    [21]

    ]Francisco E, Sanjurjo G, Blanco M A 2001 Phys. Rev. B 63 094107

    [22]

    ]Gray D E 1972 American Institute of Physics Handbook (New York: McGraw-Hill Book Company), third edition

    [23]

    ]Ihsan B 1995, Thermochemical Data of Pure Substances (WILEY-VCH Verlag GmbH), third edition

  • 引用本文:
    Citation:
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出版历程
  • 收稿日期:  2009-07-23
  • 修回日期:  2009-09-01
  • 刊出日期:  2010-05-15

AlFe单晶薄膜微结构与热力学性质研究

  • 1. 中国工程物理研究院,激光聚变研究中心,绵阳 621900
    基金项目: 

    国家自然科学基金(批准号:10804101)、等离子体国防科技重点实验室基金(批准号:9140C6805020806)和国家重点基础发展计划项目(批准号:2007CB815102)资助的课题.

摘要: 采用PLD方法,在573 K条件下制备了AlFe单晶合金薄膜.X射线衍射与透射电子衍射表明,AlFe空间点群为PM-3M,晶格常数a =0.297 nm (略大于bcc-Fe的晶格常数,a =0.293 nm),且AlFe晶体结构为bcc-Fe晶格体心Fe原子被Al取代产生的新结构.采用第一性原理与准谐德拜模型研究了AlFe合金的化学势与热力学性能,计算表明AlFe合金具有更低的化学势,导致在生长过程只出现AlFe相.与此同时,AlFe合金具有与bc

English Abstract

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