Korean Journal of Crystallography (한국결정학회지)

Korean Crystallographic Association (한국결정학회)
권호 표지

Quantum Material Design using the $DV-X{\alpha}$ Molecular Orbital Method

$DV-X{\alpha}$ 분자궤도법을 이용한 양자재료설계

  • Kim, Yang-Soo (Energy Lab., Corpotate R&D Center SAMSUNG SDI Co., LTD) ;
  • Lee, Dong-Yoon (Industry Application Research Laboratory, Korea Electrotechnology Research Institute)
  • 김양수 (삼성 SDI. 중앙연구소 에너지 랩) ;
  • 이동윤 (한국전기연구원 재료응용연구단)
  • Published : 2005.06.01
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References

  1. 김양수 외, 양자재료화학입문, 도서출판 한림원 (1999)
  2. Slater, J. C., Quantum Theory of Molecules and Solids, vol. 4, McGraw-Hill (1974)
  3. Herman, F. and Skillman, S., Atomic Structure Calculations, Prentice-Hill (1963)
  4. Liberman, D. A., Waber, J. T. and Cromer, D. T., Phys. Rev., 137, A 27 (1965)
  5. Johnson, K. H., J. Chem. Phys., 45, 3085 (1966)
  6. Johnson, K. H. and Smith, F. C., Jr., Phys. Rev. Lett., 24, 139 (1970)
  7. Averill, F. W. and Ellis, D. E., J. Chem. Phys., 59, 6413 (1973) https://doi.org/10.1063/1.1680127
  8. Adachi, H., Tsukada, M. and Satoko, C., J. Phys. Soc. Jpn., 45, 875 (1978)
  9. Mulliken, R. S., J. Chem. Phys., 23, 1833 (1955)
  10. Rosen, A. and Ellis, D. E., J. Chem. Phys., 62, 3039 (1975)
  11. Adachi, H., Rosen, A. and Ellis, D. E., Molecular Sci., 33, 199 (1979)
  12. Adachi, H. and Taniguchi, K., J. Phys. Soc. Jpn., 49, 1944 (1980) https://doi.org/10.1143/JPSJ.49.980
  13. Adachi, H. and Imoto, S., Mater. Trans. JIM, 18, 375 (1977)
  14. Adachi, H., Nasu, S. and Fujita, F. E., Material Sci. Forum, 37, 173 (1989)
  15. Fukushima, K. and Adachi, H., Jpn. J. Appl. Phys., 28, 1851 (1989)
  16. Adachi, H. and Kakano, M., J. Solid State Chem., 93, 556 (1991)
  17. Kim, Y. S., No, K. S., Chung, K. S., Lee, J. C. and Ooi, K., Mater. Lett., 57,4140-4146 (2003) https://doi.org/10.1016/S0167-577X(03)00279-9
  18. Kim, Y.-S., Kanoh, H., Hirotsu, T. and Ooi, K., Bull. Chem. Soc. Jpn., 75, 55-58 (2002) https://doi.org/10.1246/bcsj.75.55
  19. Kim, Y.-S., Kanoh, H., Hirotsu, T. and Ooi, K., Mat. Res. Bull., 1854, 1-6 (2002)
  20. Kim, Y.-S., Chitrakar, R., Kanoh, H., Hirotsu, T. and Ooi, K., Chem. Lett., 10, 1224-1225 (2000)
  21. Tanaka, I., Kawai, J. and Adachi, H., Solid State Commun., 93, 553 (1995) https://doi.org/10.1016/0038-1098(94)00919-8
  22. Tanaka, I., Kawai, J. and Adachi, H., Phys. Rev. B., 52, 11733 (1995)
  23. Kim, S. K., Kim, Y. S., Hong, I. J., Tanaka, I. and No, K., J. Appl. Phys., 97, 073519 (2005)
  24. Ogasawara, K., Ishii, T., Tanaka, I. and Adachi, H., Mater. Trans. JIM., 40, 396 (1999)
  25. Ogasawara, K., Ishii, T., Tanaka, I. and Adachi, H., Mater. Trans. JIM., 40, 416 (1999)
  26. Morinaga, M., Yukawa, N. and Adachi, H., J. Phys. Soc. Jpn., 53, 653 (1984) https://doi.org/10.1143/JPSJ.53.984
  27. Morinaga, M., Yukawa, N., Adachi, H. and Ezaki, H., Proc. Int. Syrnp. on Superalloys, The Metallurgical Society of AIME, 523 (1984)
  28. Morinaga, M., Yukawa, N. and Adachi, H., Phil. Mag., A51, 247 (1985)
  29. Morinaga, M., Yukawa, N., Adachi, H. and Ezaki, H., Phil. Mag., A51, 223 (1985)
  30. Morinaga, M., Saito, J., Yukawa, N. and Adachi, H., Acta Metall. Mater., 38, 25 (1990)
  31. Morinaga, M., Nasu, S., Adachi, H., Saito, I. and Yukawa, N., J. Phys. Condens. Matter., 3, 6817 (1991)
  32. Saito, J., Morinaga, M. and Adachi, H., Trans. Mater. Res. Soc. Japan., 9, 160 (1992)
  33. Morinaga, M., Yukawa, N. and Adachi, H., J. Jpn. Inst. Metal., 27, 165 (1988)
  34. Kim, Y.-S., Li, J., Tanaka, I., Koyama, Y. and Adachi, H., Mater. Trans. JIM., 41, 1088-1091 (2000) https://doi.org/10.2320/matertrans1989.41.1088
  35. Kim, Y.-S., Mizuno, M., Tanaka, I. and Adachi, H., Mater. Trans. JIM., 39, 709-713 (1998) https://doi.org/10.2320/matertrans1989.39.709
  36. Kim, Y.-S., Koyama, Y., Tanaka, I. and Adachi, H., Jpn. J. Appl. Phys., 37, 6440-6445 (1998) https://doi.org/10.1143/JJAP.37.6440
  37. Koyama, Y, Tanaka, I., Kim, Y-S., Nishitani, S. R. and Adachi, H., Jpn. J. Appl. Phys., 38, 4804-4808 (1999) https://doi.org/10.1143/JJAP.38.4804
  38. Koyama, Y, Kim, Y-S., Tanaka, I. and Adachi, H., Jpn. J. Appl. Phys., 38, 2024-2027 (1999) https://doi.org/10.1143/JJAP.38.2024
  39. 김양수 외, 재료설계를 위한 전자상태계산, 도서출판 한림원 (2005)
  40. http://www.dvxa.com