跳到主要內容

臺灣博碩士論文加值系統

(18.207.132.116) 您好!臺灣時間:2021/07/29 19:01
字體大小: 字級放大   字級縮小   預設字形  
回查詢結果 :::

詳目顯示

我願授權國圖
: 
twitterline
研究生:陳緒騰
研究生(外文):Hsu-Teng Cheng
論文名稱:應用X光粉末繞射及吸收光譜鑑定稀磁半導體Cd1-xFexS及[Cu(phen)Cl2]2錯合物
論文名稱(外文):Characterization of Dilute Magnetic Semiconductors Cd1-xFexS and [Cu(phen)Cl2]2 Complex by Powder X-Ray Diffraction and X-Ray Absorption Spectroscopy
指導教授:許益瑞
指導教授(外文):I-Jui Hsu
口試委員:林志明許火順
口試委員(外文):Chi-Ming LinHwo-Shuenn Sheu
口試日期:2012-07-27
學位類別:碩士
校院名稱:國立臺北科技大學
系所名稱:有機高分子研究所
學門:工程學門
學類:化學工程學類
論文種類:學術論文
論文出版年:2012
畢業學年度:100
語文別:中文
論文頁數:64
中文關鍵詞:稀磁半導體高壓纖鋅礦氯化鈉相變X光粉末繞射X光吸收光譜
外文關鍵詞:dilute magnetic semiconductors (DMS)high pressurewurtziteNaCl typephase transitionX-ray diffraction (XRD)X-ray absorption spectroscopy (XAS)
相關次數:
  • 被引用被引用:0
  • 點閱點閱:193
  • 評分評分:
  • 下載下載:0
  • 收藏至我的研究室書目清單書目收藏:0
在此論文中主要利用粉末X光繞射來研究CdS的高壓相變行為在壓力為11.00 GPa以下及對於不同濃度之Fe的Cd1-xFexS樣品 (x = 0.01, 0.03, 0.05, 0.08 和 0.16)的Fe參雜效應。並藉由general structure analysis system (GSAS) 軟體之Rietveld精算之結果顯示,對於CdS樣品由纖鋅礦結構轉變為氯化鈉結構的相變壓力(Pt)為2.29 GPa。相較於先前的研究,本實驗中CdS的Pt (2.29 GPa)皆低於其他研究的結果(Pt = 2.5 ~ 3.1 GPa)。除了鐵含量為0.01的硫化鐵鎘樣品, Pt通常隨著鐵含量的增加而減少。而有趣的是,Cd0.99Fe0.01S之Pt相較於其他硫化鐵鎘之稀磁半導體是急遽下降的。為了瞭解摻鐵樣品的結構變化,也藉由鐵K吸收邊緣的延伸X光吸收精細結構(extended x-ray absorption fine structure)做為鑑定。最後基於XRD與EXAFS的Cd/Fe-S鍵長結果再做進一步的討論。另一方面,我們利用XRD和EXAFS來鑑定[Cu(phen)Cl2]2錯合物的幾何結構。並使用X光吸收近邊緣結構(x-ray absorption near edge structure),時間依賴性密度泛函理論(time dependent density function theory)計算和超導量子干涉磁量儀(superconducting quantum interference device magnetometer)來研究其電子結構。

In this thesis, the powder X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS) are used to study the pressure-induced phase transitions of CdS below 11.00 GPa and the variation of Fe concentration doped effect on Cd1-xFexS (x = 0.01, 0.03, 0.05, 0.08 and 0.16) DMS. The Rietveld refinement results by the general structure analysis system (GSAS) package indicate that the phase transition pressure (Pt) from the wurtzite type to sodium chloride type for CdS occurred at 2.29 GPa. In comparison with those previous study on CdS, the Pt of our result is lower than those of them with Pt around 2.5 ~ 3.1 GPa. In general, Pt is decreased with the increasing of dopant Fe concentration, except that the nominal composition of x equals to 0.01. Interestingly, the Pt of Cd0.99Fe0.01S is decreased prominently than any other DMS of Cd1-xFexS. In order to realize the structural variations on these Fe dopant samples, these structures are also characterized by EXAFS of Fe K-edge. The discussions based on the results of Cd/Fe-S bond lengths obtained from XRD and EXAFS are made in this work. On the other hand, the geometric structure of Cu complex, [Cu(phen)Cl2]2, is confirmed by XRD and EXAFS. Moreover, the electronic structure is studied by XANES, time dependent density function theory (TD-DFT) calculation and superconducting quantum interference device magnetometer (SQUID).

中文摘要 i
ABSTRACT ii
致謝 iv
CONTENTS v
LISTS OF TABLES vi
LISTS OF FIGURES vii
Chapter 1 INTRODUCTION 1
1.1 The diluted magnetic semiconductor 1
1.2 Motivation 3
Chapter 2 EXPERIMENTAL METHOD AND THEORY 5
2.1 Synthesis of [Cu(phen)Cl2]2 5
2.2 Magnetic measurement 5
2.3 X-ray diffraction 6
2.3.1 Introduction 6
2.3.2 Experiment of XRD 8
2.4 X-ray absorption spectroscopy fine structure 9
2.4.1 XANES 10
2.4.2 EXAFS 13
2.4.3 Experiment of XAS 14
2.4.4 EXAFS data analysis 15
2.5 Rietveld Method 17
2.6 Computation 20
2.6.1 Density function theory (DFT) calculation for
[Cu(phen)Cl2]2 20
2.7 Pre-edge spectrum analysis 21
Chapter 3 RESULTS AND DISCUSSION 22
3.1 DMS Cd1-xFexS study 22
3.1.1 Pressure-induced phase transition in CdS 22
3.1.2 Characterization of Cd1-xFexS by XRD and XAS 34
3.2 Description of the structure of [Cu(phen)Cl2]2 41
Chapter 4 SUMMARY 50
REFERENCES 52
APPENDIX


1.Furdyna, J. K. a. K. J., (Editors), Semiconductors and Semimetals, Vol. 25, Diluted Magnetic Semiconductors. Academic Press, New York, 1988; Balkanski, M. and Averous, M. (Editors), Semimagnetic Semiconductors and Diluted Magnetic Semiconductors, Plenum Press, New York, 1991; Kossut, J. and Dobrowolski, W., in Handbook of Magnetic Materials (Edited by K.H. Buschow), Vol. 7. North-Holland Publ. Co., Amsterdam. 1993.
2.Chen, Y. F.; Chou, W. C.; Twardowski, A., Solid State Communications 1995, 96 (11), 865-869.
3.Samarth, N.; Kłosowski, P.; Luo, H.; Giebułtowicz, T. M.; Furdyna, J. K.; Rhyne, J. J.; Larson, B. E.; Otsuka, N., Physical Review B 1991, 44 (9), 4701-4704.
4.Murali, G.; Reddy, D. A.; Poornaparakash, B.; Vijayalakshmi, R. P., AIP Conference Proceedings 2012, 1447 (1), 225-226.
5.Awschalom, D. D.; Freeman, M. R.; Samarth, N.; Luo, H.; Furdyna, J. K., Physical Review Letters 1991, 66 (9), 1212-1215.
6.von Molnar, S.; Briggs, A.; Flouquet, J.; Remenyi, G., Physical Review Letters 1983, 51 (8), 706-709.
7.Fu, L. P.; Schmiedel, T.; Petrou, A.; Warnock, J.; Jonker, B. T., Applied Physics Letters 1992, 60 (5), 583-585.
8.Liu, X.; Petrou, A.; Warnock, J.; Jonker, B. T.; Prinz, G. A.; Krebs, J. J., Physical Review Letters 1989, 63 (20), 2280-2283.
9.Chou, W. C.; Petrou, A.; Warnock, J.; Jonker, B. T., Physical Review Letters 1991, 67 (27), 3820-3823.
10.Chou, W. C.; Petrou, A.; Warnock, J.; Jonker, B. T., Physical Review B 1992, 46 (7), 4316-4319.
11.Weinstein, B. A.; Piermarini, G. J., Physical Review B 1975, 12 (4), 1172-1186; Strossner, K.; Ves, S.; Koo Kim, C.; Cardona, M., Physical Review B 1986, 33 (6), 4044-4053.
12.Ley, L.; Pollak, R. A.; McFeely, F. R.; Kowalczyk, S. P.; Shirley, D. A., Physical Review B 1974, 9 (2), 600-621; Weber, M. J; Xu, Y.-N.; Ching, W. Y., Physical Review B 1993, 48 (7), 4335-4351; Zakharov, O.; Rubio, A.; Blase, X.; Cohen, M. L.; Louie, S. G., Physical Review B 1994, 50 (15), 10780-10787; Wei, S.-H.; Zhang, S. B., Physical Review B 2000, 62 (11), 6944-6947.
13.N. N. Greenwood, A. Earnshaw, Chemistry of the Elements, 2nd ed., Butterworth–Heinemann, Oxford 1997.
14.Cheol Park, Roy E. Crooks, Emilie J. Siochi, Joycelyn S. Harrison,Neal Evans and Edward Kenik, Nanotechnology 2003, 14 (9), L11.
15.Edwards, A. L.; Drickamer, H. G., Physical Review 1961, 122 (4), 1149-1157.
16.Samara, G. A.; Drickamer, H. G., Journal of Physics and Chemistry of Solids 1962, 23 (5), 457-461.
17.Corll, J. A., Journal of Applied Physics 1964, 35 (10), 3032-3033.
18.Venkateswaran, U.; Chandrasekhar, M., Physical Review B 1985, 31 (2), 1219-1222.
19.Zhao, X. S.; Schroeder, J.; Bilodeau, T. G.; Hwa, L. G., Physical Review B 1989, 40 (2), 1257-1264.
20.Haase, M.; Alivisatos, A. P., The Journal of Physical Chemistry 1992, 96 (16), 6756-6762.
21.G. H. Rao, K. Barner and I. D. Brown, Journal of Physics: Condensed Matter 1998, 10 (48), L757.
22.Knudson, M. D.; Gupta, Y. M.; Kunz, A. B., Physical Review B 1999, 59 (18), 11704-11715.
23.Benkhettou, N.; Rached, D.; Soudini, B.; Driz, M., physica status solidi (b) 2004, 241 (1), 101-107.
24.Lu, L. P.; Zhu, M.L.; Yang, P., Journal of Inorganic Biochemistry 2003, 95 (1), 31-36.
25.Hamnett, A., solid-state Chemistry Techinques, ed. by A. K. Cheetham and P. Day, Oxford University, Oxford, 293 (1987).
26.All Cd1-xFexS powders are obtained from Bridgman.
27.Nakano, K.; Akahama, Y.; Ohishi, Y.; Kawamura, H., Japanese Journal of Applied Physics 39 (Part 1, No. 3A), 1249.
28.http://www.esrf.eu/computing/scientific/FIT2D/.
29.陳錦明, 儀器新知., 50 (1994); 李志甫, 化學., 280 (1995).
30.Hsu, I. J.; Shiu, Y. J.; Jeng, U. S.; Chen, T. H.; Huang, Y. S.; Lai, Y. H.; Tsai, L. N.; Jang, L. Y.; Lee, J. F.; Lin, L. J.; Lin, S. H.; Wang, Y., The Journal of Physical Chemistry A 2007, 111 (38), 9286-9290; Huse, N.; Kim, T. K.; Jamula, L.; McCusker, J. K.; de Groot, F. M. F.; Schoenlein, R. W., Journal of the American Chemical Society 2010, 132 (19), 6809-6816.
31.Bianconi, A., X-Ray Absorption: Principles, Applications, Techniques of EXAFE, SEXAFS, ed. By D.C. Koningsberger and R. Prins, Jhon Wiley & Sons, New York.3(1998).
32.Stern, E. A., X-Ray Absorption: Principles, Applications, Techniques of EXAFE, SEXAFS, ed. By D.C. Koningsberger and R. Prins, Jhon Wiley & Sons, New York.3(1998); Yokoyama, T., X-Ray Absorption Fine Structure for Catalysts and Surface, ed. by Y. Iwasawa, World Scientific, Singapore, 9 (1996).
33.Shadle, S. E.; Hedman, B.; Hodgson, K. O.; Solomon, E. I., Inorganic Chemistry 1994, 33 (19), 4235-4244.
34.Frenkel, A.; Stern, E. A.; Voronel, A.; Qian, M.; Newville, M., Physical Review B 1994, 49 (17), 11662-11674.
35.Zabinsky, S. I.; Rehr, J. J.; Ankudinov, A.; Albers, R. C.; Eller, M. J., Physical Review B 1995, 52 (4), 2995-3009.
36.Giacovazzo, C., Crystallographic Compution, in Fundamentals of Crystallography, edited by Giacovazzo, C. et al, Oxford University Press, 1992; Young, R. A., Ed.; The Rietveld Method; IUCR: Oxford, 1995; McCusker, L. B.; Von Dreele, R. B.; Cox, D. E.; Louer, D.; Scardi, P., Journal of Applied Crystallography 1999, 32 (1), 36-50.
37.B.Viossat; J.F.Gaucher; A.Mazurier; M.Selkti; A.Tomas, Z.Kristallogr.-New Cryst.Struct. 1998, 213, 329.
38.F. Neese, ORCA-an ab Initio, density functional and semiempirical electronic structure package, version 2.8.0, University of Bonn, Germany, 2010
39.Flukiger, P.; Luthi, H. P.; Portmann, S.; Weber, J., MOLEKEL 4.3; Swiss Center for Scientific Computing, Manno, Switzerland, 2000-2002.
40.http://www.originlab.com/index.aspx?go=Products/Origin.
41.The program was written by I. J. Hsu.
42.Caglioti, G.; Paoletti, A.; Ricci, F. P., Nuclear Instruments 1958, 3 (4), 223-228; Howard, C. J., Journal of Applied Crystallography 1982, 15 (6), 615-620; Thompson, P.; Cox, D. E.; Hastings, J. B., Journal of Applied Crystallography 1987, 20 (2), 79-83; Allen, C. L.; Robert, B. V. D., 2004.
43.Smith, P. L.; Martin, J. E., Physics Letters 1963, 6 (1), 42; Rooymans, C. J. M., Physics Letters 1963, 4 (3), 186-187; Sowa, H., Solid State Sciences 2005, 7 (1), 73-78.
44.Owen, N. B.; Smith, P. L.; Martin, J. E.; Wright, A. J., Journal of Physics and Chemistry of Solids 1963, 24 (12), 1519-1520.
45.Sowa, H., Acta Crystallographica Section A 2001, 57 (2), 176-182.
46.Lin, C.M.; Chuu, D.S.; Xu, J.a.; Huang, E.; Chou, W.C.; Hu, J.Z.; Pei, J.H., Physical Review B 1998, 58 (1), 16-19.
47.Qadri, S. B.; Skelton, E. F.; Webb, A. W.; Moulton, N.; Hu, J. Z.; Furdyna, J. K., Physical Review B 1992, 45 (10), 5670-5671.
48.Ves, S.; Strossner, K.; Gebhardt, W.; Cardona, M., Solid State Communications 1986, 57 (5), 335-338.
49.Yu, J.H.; Lu, Z.L.; Xu, J.Q.; Bie, H.Y.; Lu, J.; Zhang, X., New Journal of Chemistry 2004, 28 (8), 940-945; Zhang, Q.Q.; Zhang, F.; Wang, W.G.; Wang, X. L., Journal of Inorganic Biochemistry 2006, 100 (8), 1344-1352.
50.Wang, L.; Huang, R.B.; Long, L.S.; Zheng, L.S.; Wang, E.B.; Xie, Z.X., Journal of Coordination Chemistry 2005, 58 (16), 1439-1448.
51.The single crystal XRD was performed by Prof. Lee, Chi-Rung.
52.The SQUID was performed by Prof. Chiang, Ming-Hsi.


連結至畢業學校之論文網頁點我開啟連結
註: 此連結為研究生畢業學校所提供,不一定有電子全文可供下載,若連結有誤,請點選上方之〝勘誤回報〞功能,我們會盡快修正,謝謝!
QRCODE
 
 
 
 
 
                                                                                                                                                                                                                                                                                                                                                                                                               
第一頁 上一頁 下一頁 最後一頁 top
無相關期刊