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采用固相烧结法制备了六方晶型结构的MgTiO3粉体. 经高温原位X射线衍射分析(2931473 K)进行了表征与确认,获得了晶胞参数及其随温度的变化,测量了高温原位拉曼光谱(2731623 K),并运用第一性原理理论计算方法对应核实了拉曼谱峰的归属. 结果表明,随着温度升高,MgTiO3晶面间距和晶格常数增大,从而反映对于拉曼光谱较为敏感的键长和键角的变化;温致拉曼位移可以反映TiO,MgO等键长以及TiOTi,TiOMg与MgOMg等键角随温度的细微变化,相关关系则独立于温度,有效提升了原位拉曼光谱微探针诊断技术的分析能力;拉曼谱峰随温度升高而展宽,表明原子瞬间运动振幅加剧,弥散性增加,稳定性有所下降,但仍维持六方晶型.
[1] Jong-Gab Baek, Tetsuhiko Isobe, Mamoru Senna 1996 Solid State Ionics 90 269
[2] Parthasarathy G 2007 Materials Letters 61 4329
[3] [4] [5] Wang M N, Qiu T, Yang J, Shen C Y 2007 China Ceramics 43 15 (in Chinese) [王美娜、丘 泰、杨 建、沈春英 2007 中国陶瓷 43 15]
[6] Liu X G, Chen D M, Tong J F, Li B W 2006 China Powder Science and Technology 1 5 (in Chinese) [刘晓光、陈大明、仝建峰、李宝伟 2006 中国粉体技术 1 5]
[7] [8] Papthasarathy G, Manorama S V 2006 Indian Academy of Sciences 19
[9] [10] Zhu C G, Chen Y H, Chu D B 2005 Chinese Journal of Inorganic Chemistry 21 919 (in Chinese) [朱传高、陈永红、褚道葆 2005 无机化学学报 21 919]
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[18] Eung Soo Kim, Chang Jun Jeon 2010 Journal of the European Ceramic Society 30 341
[19] [20] [21] Freer R, Azough F 2008 Journal of the European Ceramic Society 28 1433
[22] Xiang W, Shan Q, Leonid Dubrovinsky 2010 Geoscience Frontiers 1 69
[23] [24] [25] Yuan B C, Cheng L H, Shih Hung Lin 2009 Journal of Alloys and Compounds 480 897
[26] [27] Qi J Q, Li W, Wang Y L, Du Z L, Li L S 2002 Journal of Inorganic Materials 12 1199 (in Chinese) [齐建全、李 雯、王永力、桂治轮、李龙土 2002 无机材料学报 12 1199]
[28] Ferri E A V, Sczancoski J C, Cavalcante L S, Paris E C, Espinosa J W M, de A T Figueiredo, Pizani P S, Mastelaro V R, Varelab J A, Longo E 2009 Materials Chemistry and Physics 117 192
[29] [30] Wang C H, Jing X P, Lv J 2007 Advanced Functional Materials 4 54 (in Chinese) [王春海、荆西平、吕 进 2007 第六届功能 材料及其应用学术会议 4 54] 〖17] Parthasarathy G 2007 Materials Letters 61 3208
[31] [32] [33] You J L, Jiang G C, Chen H, Xu K D 2006 Rare Metals 25 431
[34] [35] YangY, LiuY L, Zhu K, Zhang L Y, Ma S Y, Liu J, Jiang Y J 2010 Chin. Phys. B 19 037802
[36] [37] [38] Simon P, Moulin B, Buixaderas E, Raimboux, Herault E, Chazallon B, Cattey H, Magneron N, Oswalt J, Hocrelle D 2003 Journal of Raman Spectroscopy 34 497
[39] Jade 5.0, Materials Data Inc., MDI XRD Pattern Processing Software
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[43] [44] Segall M D, Philip, Lindan J D, Probert M J, Pickard C J, Hasnip P J, Clark S J, Payne M C 2002 Journal of Physics: Condensed Matter 14 2717
[45] Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso 2001 Reviews of Modern Physics 73 515
[46] [47] Monkhorst H J, Pack J D 1976 Physical Review B 13 5188
[48] [49] [50] Ruslan P Liferovich, Roger H 2004 Acta Crystallographica B 60 496
[51] [52] Chen Y S, Yang S E, Wang J H, Lu J X, Gao X Y, Gu J H 2010 Chin. Phys. B 19 057205
[53] Materials Studio Materials Studio Overview Web page: www.Materials-studio.com
-
[1] Jong-Gab Baek, Tetsuhiko Isobe, Mamoru Senna 1996 Solid State Ionics 90 269
[2] Parthasarathy G 2007 Materials Letters 61 4329
[3] [4] [5] Wang M N, Qiu T, Yang J, Shen C Y 2007 China Ceramics 43 15 (in Chinese) [王美娜、丘 泰、杨 建、沈春英 2007 中国陶瓷 43 15]
[6] Liu X G, Chen D M, Tong J F, Li B W 2006 China Powder Science and Technology 1 5 (in Chinese) [刘晓光、陈大明、仝建峰、李宝伟 2006 中国粉体技术 1 5]
[7] [8] Papthasarathy G, Manorama S V 2006 Indian Academy of Sciences 19
[9] [10] Zhu C G, Chen Y H, Chu D B 2005 Chinese Journal of Inorganic Chemistry 21 919 (in Chinese) [朱传高、陈永红、褚道葆 2005 无机化学学报 21 919]
[11] [12] Wang Y M, Li M Q, Peng J Z 1996 Powder Technology 2 13 (in Chinese) [王毅敏、李懋强、彭建中 1996 粉体技术 2 13]
[13] [14] [15] Deng C, Zhang S R, Tang B 2009 Electronic Components and Materials 28 9 (in Chinese) [邓 超、张树人、唐 斌 2009 电子元件与材料 28 9]
[16] [17] Hirata T, Ishioka K, Kitajima M 1996 Journal of Solid State Chemistry 124 353
[18] Eung Soo Kim, Chang Jun Jeon 2010 Journal of the European Ceramic Society 30 341
[19] [20] [21] Freer R, Azough F 2008 Journal of the European Ceramic Society 28 1433
[22] Xiang W, Shan Q, Leonid Dubrovinsky 2010 Geoscience Frontiers 1 69
[23] [24] [25] Yuan B C, Cheng L H, Shih Hung Lin 2009 Journal of Alloys and Compounds 480 897
[26] [27] Qi J Q, Li W, Wang Y L, Du Z L, Li L S 2002 Journal of Inorganic Materials 12 1199 (in Chinese) [齐建全、李 雯、王永力、桂治轮、李龙土 2002 无机材料学报 12 1199]
[28] Ferri E A V, Sczancoski J C, Cavalcante L S, Paris E C, Espinosa J W M, de A T Figueiredo, Pizani P S, Mastelaro V R, Varelab J A, Longo E 2009 Materials Chemistry and Physics 117 192
[29] [30] Wang C H, Jing X P, Lv J 2007 Advanced Functional Materials 4 54 (in Chinese) [王春海、荆西平、吕 进 2007 第六届功能 材料及其应用学术会议 4 54] 〖17] Parthasarathy G 2007 Materials Letters 61 3208
[31] [32] [33] You J L, Jiang G C, Chen H, Xu K D 2006 Rare Metals 25 431
[34] [35] YangY, LiuY L, Zhu K, Zhang L Y, Ma S Y, Liu J, Jiang Y J 2010 Chin. Phys. B 19 037802
[36] [37] [38] Simon P, Moulin B, Buixaderas E, Raimboux, Herault E, Chazallon B, Cattey H, Magneron N, Oswalt J, Hocrelle D 2003 Journal of Raman Spectroscopy 34 497
[39] Jade 5.0, Materials Data Inc., MDI XRD Pattern Processing Software
[40] [41] [42] Milman V, Refson K, Clark S J, Pickard C J, Yates J R, Gao S P, Hasnip P J, Probert M I J, Perlov A, Segall M D 2010 Journal of Molecular Structure 954 22
[43] [44] Segall M D, Philip, Lindan J D, Probert M J, Pickard C J, Hasnip P J, Clark S J, Payne M C 2002 Journal of Physics: Condensed Matter 14 2717
[45] Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso 2001 Reviews of Modern Physics 73 515
[46] [47] Monkhorst H J, Pack J D 1976 Physical Review B 13 5188
[48] [49] [50] Ruslan P Liferovich, Roger H 2004 Acta Crystallographica B 60 496
[51] [52] Chen Y S, Yang S E, Wang J H, Lu J X, Gao X Y, Gu J H 2010 Chin. Phys. B 19 057205
[53] Materials Studio Materials Studio Overview Web page: www.Materials-studio.com
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