Please use this identifier to cite or link to this item: http://hdl.handle.net/11455/10331
標題: First-Principles Analysis of Co/Pt multilayers
[Pt(2.8nm)/Co(t nm)]4 /NiO(42nm) /SiO2 奈米多層膜系 統的第一原理分析
作者: 王宏斌
Wang, Hung-Pin
關鍵字: multilayer
多層膜
TEM
GGA
穿透式電子顯微鏡
廣義梯度近似法
出版社: 材料科學與工程學系所
引用: 第一章參考文獻 1. L. Krusin-Elbaum, T. Shibauchi, B. Argyle, L. Gignac, and D. Weller, Nature 410, 444 (2001). 2. P. F. Carcia, J. Appl. Phys., 63, 5066 (1988). 3. J. W. Knepper and F. Y. Yang, PHYSICAL REVIEW B 71, (2005) 224403 4. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Reviews of Modern Physics, Vol. 64, No. 4, 1045 (1992) 5. R. Car and M. Parrinello, Phys. Rev. Lett 55 (1985) 2471 6. M.P. Teter, M.C. Payne and D.C. Allan, Phys. Rev. B 40, 12255 (1989) 7. T. Tortilla, T. Fulmshir, T. SLlzLlki, Mater. Tran. 37, 1298 (l996) 8. Y. Shao, P. C. Clapp, J. A. Rifkin, Metal. Tran. 1477 (1996) 9. R. W. Smith, G. S. Was, Phys. Rev. 40, 10322 (1989) 10. Xi Chen, Andreas Hochstrat, Pavel Borisov , and Wolfgang Kleemann, Appl. Phys. Lett. 89, 202508 (2006) 11. Z.Y. Liu, Journal of Magnetism and Magnetic Materials 281 (2004) 247–254 12. J. C. S. Kools, IEEE Transactions on Magnetics, Vol 32, No 4. July (1996) 13. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 1993 14. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 1996 15. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133(1965) 16. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964) 17. Xinyuan Zhao, Davide Ceresoli, and David Vanderbilt, Physical Review B 71, 085107 (2005) 18. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Reviews of Modern Physics, Vol. 64, No. 4, 1045 (1992) 19. P.F. Carcia, J. Appl. Phys. 63, 5066(1988) 20. C. H. Lee,Hui He, F. J. Lamelas, and W. Vavra, Phys. Rev. B, 42, 1066(1990) 21. S. Ferrer, J. Alvarez, E. Lundgren, and P. Fajardo, Phys. Rev. B 56, 9848(1997) 22. L. Néel, J. Phys. Rad. 15, 376(1954) 23. D. Weller, and J. Stöhr, Phys. Rev. Lett. 75,3752(1995) 24. Williams, H. J., Sherwood, R. C., Foster, F. G. and Kelley, J. Appl. Phys. 28,1181(1957) 25. A Ali, P J Grundy , G A Stephens, J. Phys. D: Appl. Phys. 9, L69(1976) 26. NICOLA A. SPALDIN , “Magnetic Materials : Fundamentals and device applications” , CAMBRIDGE (2003) 27. http://www.cdrinfo.com/Sections/Reviews/Specific.aspx?ArticleId=1427&PageId=1 28. http://www.laserfocusworld.com/display_article/302464/12/none/none/NBrea/ Circularly-polarized-pulses-enable-ultrafast-magnetic-recordin 29. http://www.tomshardware.tw/review_print.php?p1=1247 30. http://www.sonystyle.com/webapp/wcs/stores/servlet/ProductDisplay?catalogI d=10&storeId=10151&langId=-1&productId=11039991&SR=sony_search_se o&SQS=Hi%20MD 第二章參考文獻 1. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133(1965) 2. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964) 3. The guide of VASP, can be retrieved from:http://cms.mpi.univie.ac.at/VASP/ , written by Georg Kresse and Jürgen Furthmüller 4. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Reviews of Modern Physics, Vol. 64, No. 4, 1045 (1992) 5. Alan F. Wright and J. S. Nelson, Phys. Rev. B, Vol. 50, No. 4, 2159-2165, (1994) 6. Alan F. Wright, Susan R. Atlas, Phys. Rev. B, 50, 15248-15260(1994) 7. D. R. Hamann, M. Schlüter, and C. Chiang, Phys. Rev. Lett. 43, 1494-1497(1979) 8. F. S. Ham and B. Segall, Phys. Rev. 124, 1786 (1961) 9. M. Methfessel, and M. Van Schilfgaarde, Phys. Rev. B, 48, 4937-4940(1993) 10. Charles Kittel, Introduction to Solid State Physics, John Wiley and Sons 11. C. M. Bertoni, O. Bisi and F. Maghi, Phys. Rev. B Vol. 17, 10(1978) 12. Xue-Fu Zhong, Yong-Nian Xu, and W. Y. Ching Phys. Rev. B Vol. 41, 15(1990) 13. B. V. Reddy and S. N. Khanna, B. I. Dunlap Phys. Rev. Letters Vol. 70, 21(1993) 14. P. Pulay, Chem. Phys. Lett. 73 (1980) 393 15. Hao Ouyang and Hsiao-Hao Chiou ,Journal of Applied Physics, 102, 013710 (2007) 16. Steven G. Louie, and Marvin L. Cohen, Phys. Rev. B. 13, 2461 (1976) 17. The guide of VASP, can be retrieved from:http://cms.mpi.univie.ac.at/VASP/ , written by Georg Kresse and Jürgen Furthmüller 18. 江進福, 物理雙月刊, 廿三卷五期, P549-553 19. D. R. Hamann, M. Schlüter, and C. Chiang, Phys. Rev. Lett. 43, 1494-1497(1979) 20. W. Kohn and L. J. Sham, Phys. Rev. 137, A1697 (1965) 21. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. Vol45, 566 (1980) 22. John P. Perdew, Kieron Burke, and Matthias Ernzerhof, Phys. Rev. Lett., vol. 77, NO. 18, 3865 (1996) 23. J. P. Perdew, in Electronic Structure of Solids ‘91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991), p. 11. 24. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992); 48, 4978(E) (1993). 25. A. D. Becke, J. Chem. Phys. 96, 2155 (1992). 26. B. Hammer, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. Lett. 70, 3971 (1993); B. Hammer and M. Scheffler, Phys. Rev. Lett. 74, 3487 (1995). 27. J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B (to appear) 28. M. Levy, Int. J. Quantum Chem. S23, 617 (1989). 29. C. J. Umrigar and X. Gonze, in High Performance Computing and its Application to the Physical Sciences, Proceedings of the Mardi Gras 1993 Conference, edited by D. A. Browne et al. (World Scientific, Singapore, 1993). 30. C. Bowen, G. Sugiyama, and B. J. Alder, Phys. Rev. B 50, 14 838 (1994); S. Moroni, D. M. Ceperley, and G. Senatore, Phys. Rev. Lett. 75, 689 (1995). 31. The guide of VASP, can be retrieved from:http://cms.mpi.univie.ac.at/VASP/ , written by Georg Kresse and Jürgen Furthmüller 32. M.P. Teter, M.C. Payne and D.C. Allan, Phys. Rev. B 40, 12255 (1989) 33. D. D. Johnson, Phys. Rev. B38, 12 087 (1988) 34. Nicola A.. Spaldin , “Magnetic Materials Fundamentals and Device Applications” , CAMBRIDGE (2003) 35. P. F. Carcia, J. Appl. Phys., 63, 5066 (1988) 36. C. H. Lee,Hui He, F. J. Lamelas, and W. Vavra, Phys. Rev. B, 42, 1066(1990) 37. S. Ferrer, J. Alvarez, E. Lundgren, and P. Fajardo, Phys. Rev. B 56, 9848(1997) 38. L. Néel, J. Phys. Rad. 15, 376(1954) 39. D. Weller, and J. Stöhr, Phys. Rev. Lett. 75, 3752(1995) 40. J. W. Knepper and F. Y. Yang, PHYSICAL REVIEW B 71, (2005) 224403 41. F.J.A. den Broeder , W. Hoving and P.J.H. Bloemen , J. Magn. Magn. Mat. 93,(1991) 562 42. P.F. Carcia , Z.G. Liand , W.B. Zeper , J. Magn. Magn. Mat. 121,(1993) 452 43. D. Dobrev, Thin Solid Films 92, (1982) 41 44. M.A. Ruderman and C. Kittel, Phys. Rev.96,1(1954) 45. T. Kasuya, Prog. Theor. Phys. 16, 45 (1956) 46. Yosida, Phys. Rev.106,5(1957) 47. Lawrence Baylor Robinson, Lloyd N. Ferguson, Jr. and Frederick Milstein, Phys. Rev. B 3, 1025 - 1033 (1971) 48. M. N. Baibich , J. M. Broto, A. Fert, F. Nguyen Van Dau, F. Petroff, P. Eitenne, G. Creuzet, A. Friederich, and J. Chazelas Physical Review Letters 61, (2472-2475) (1988) 49. Frank Herman, Robert Schrieffer, Phys. Rev.B.46,9(1992) 50. Java Electron Microscopy Software package that is developed by Pierre Stadelmann, http://cimesg1.epfl.ch/CIOL/ems.html 51. F.J.A. den Broeder , W. Hoving and P.J.H. Bloemen , J. Magn. Magn. Mat. 93,(1991) 562 52. 科儀新知, 2007(12 月), 29 卷第3 期(161 期), p82~89 第四章參考文獻 1. J. W. Knepper and F. Y. Yang, PHYSICAL REVIEW B 71, (2005) 224403 2. Steven G. Louie, and Marvin L. Cohen, Phys. Rev. B. 13, 2461 (1976) 3. D. Weller, W. Reim, K. Sporl and H. Brandle, Journal of Magnetism and Magnetic Materials, 93, 183-193(1991) 4. Hiroaki Nemoto and Yezuru Hosoe, Journal of Applied Physics, 97, 10J109(2005) 5. S. S. A. Razee , J. B. Staunton, F. J. Pinski, Phys. Rev. B 56 ,8082 (1997) 6. P. Ravindran, A. Kjekshus, H. Fjellvag, P. James, L. Nordström, B. Johansson, and O. Eriksson, Phys. Rev. B 63 ,144409 (2001) 7. G. S. Chang, S. H. Kim, K. H. Chae, E. Z. Kurmaev, V. Galakhov, A. Moewes, Y. P. Lee, K. Jeong, C. N. Whang, Journal of Electron Spectroscopy and Related Phenomena 114-116(2001)807-811 8. K. Satio, M. Igeta, T. Ejima, T. Hatano, A. Arai, M. Watanabe, Journal of Electron Spectroscopy and Related Phenomena 144-147 (2005) 757-760 9. S. Uba, L. Uba, A. N. Yaresko, and A. Ya. Perlov, Phys. Rev. B, vol. 53 , No. 10, 1 MARCH 1996-Ⅱ 10. S. S. A. Razee , J. B. Staunton, F. J. Pinski, Phys. Rev. B 56 ,8082(1997)
摘要: We find the easy axis of Co/Pt multilayer perpendicular to the plane when the thickness of Co layer is 1.2nm.We found perpendicular anisotropy was due to CoPt L10 phase and CoPt disorder phase in Co/Pt multilayer system. By detailed simulation of a structure mapped onto high resolution transmission electron microscope (HRTEM) image patterns, both the results from experiments and simulations are compared than the atomic positions were identified. The detailed atomic arrangements of materials specimen can be fed into the first-principles calculations. We study the atomic structure, electrical property and magnetic property of interface in Co/Pt multilayers according to the local density functional approximation (LDA)、density functional theory (DFT) and generalized gradient approximation (GGA) following the Vienna Ab-initio Simulation Package (VASP) code.
我們發現在[Pt(2.8nm)/Co(t nm)]4 /NiO(42nm)) /SiO2 的多層膜系統中鐵磁性的磁易軸,隨Co 厚度減少而由平行界面變成垂直界面。在Co/Pt 多層膜系統中,垂直異相性並非起因於多層膜結構,而是合金相之CoPtL10 結構與disorder 結構,我們發現在沉積NiO 的同時以不同能量去轟擊,形成不同之NiO 接合Co 結構會造成Co/Pt 合金相。當Co 厚度為1.2nm 時的多層膜構造,利用穿透式電子顯微鏡分析,發現Co 的(0001)面與Pt 的(111)面相連接,並有垂直磁異向性的趨勢。我們進一步利用Multislice method 、HRTEM ( high resolution transmission electron microscope)影像、繞射平面之間的夾角,三者作交叉分析,進而找出原子的排列情形與界面接合形式。再進一步鍵入實際的結構到從頭起算法模擬程式(Vienna ab-initio Simulation Package; VASP ),並利用根據廣 義梯度近似(generalized gradient approximation; GGA)來研究不同位置的Co 與Pt 之電子結構、磁性質與總能等。
URI: http://hdl.handle.net/11455/10331
其他識別: U0005-2708200617302500
文章連結: http://www.airitilibrary.com/Publication/alDetailedMesh1?DocID=U0005-2708200617302500
Appears in Collections:材料科學與工程學系

文件中的檔案:

取得全文請前往華藝線上圖書館



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.