Abstract
Two of the most exciting recent developments in semiconductor science and technology are the advent of semiconductor nanocrystals and of dilute magnetic semiconductors. Here, the significance of first principles theory for elucidating the properties of these material classes is explained and numerous examples are given. The examples include studies of the quantum size effect in semiconductor nanocrystals, studies of the spin-polarized electronic structure in bulk dilute magnetic semiconductors, and studies of size-dependent electronic and magnetic properties in dilute magnetic semiconducting nanocrystals.
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References
A.L. Efros, M. Rosen: Annu. Rev. Mater. Sci. 30, 475 (2000)
B. Murray, D.J. Norris, M.G. Bawendi: J. Am. Chem. Soc. 115, 8706 (1993)
H. Ohno: Science 281, 51 (1998)
S.A. Wolf, D.D. Awschalom, R.A. Buhrman, J.M. Daughton, S. von Molnar, M.L. Roukes, A.Y. Chtchelkanova, D.M. Treger: Science 294, 1488 (2001)
T. Graf, S.T.B. Goennenwein, M.S. Brandt: Phys. Stat. Sol. (b) 239, 277 (2003)
J.R. Chelikowsky, M.L. Cohen, in Handbook on Semiconductors. 2nd edn., ed. by T.S. Moss (Elsevier, Amsterdam 1992); W.E. Pickett: Comput. Phys. Rep. 9, 115 (1989)
R.M. Dreizler, E.K.U. Gross: Density Functional Theory. (Springer, Berlin Heidelberg New York 1990)
N. Troullier, J.L. Martins: Phys. Rev. B 43, 1993 (1991)
S. Öğüt, J.R. Chelikowsky: Phys. Rev. Lett. 83, 3852 (1999)
J.R. Chelikowsky, L. Kronik, I. Vasiliev, M. Jain, Y. Saad, in Handbook of Numerical Analysis. C. Le Bris (Ed.) Vol. 10: Computational Chemistry (Elsevier, Amsterdam 2003) pp. 613–637
M.E. Casida, in Recent Advances in Density-Functional Methods. Ed. by D.P. Chong (World Scientific, Singapure 1995) Pt. I, pp. 155–192
J.R. Chelikowsky, L. Kronik, I. Vasiliev: J. Phys. Condens. Matter 15, 1517 (2003)
Takagahara, K. Takeda: Phys. Rev. B 53, R4205 (1996)
A. Hill, S. Pokrant, A.J. Hill: J. Phys. Chem. B 103, 3156 (1999)
F.A. Reboredo, A. Zunger: Phys. Rev. B 62, R2275 (2000)
H.-C. Weissker, J. Furthmüller, F. Bechstedt: Phys. Rev. B 69, 115310 (2004)
G. Nesher, L. Kronik, J.R. Chelikowsky: Phys. Rev. B 71, 035344 (2005)
U. Itoh, Y. Toyoshima, H. Onuki, N. Washida, T. Ibuki: J. Chem. Phys. 85,4867 (1986)
B. Beschoten, P.A. Crowell, I. Malajovich, D.D. Awschalom, F. Matsukura, A. Shen, H. Ohno: Phys. Rev. Lett. 83, 3073 (1999); Y. Ohno, D.K. Young, B. Beschoten, F. Matsukura, H. Ohno, D.D. Awschalom, Nature 402, 790 (1999)
S.J. Pearton, C.R. Abernathy, D.P. Norton, A.F. Hebard, Y.D. Park, L.A. Boatner, J.D. Budai: Mater. Sci. Eng. R 40, 127 (2003)
M. Jain, L. Kronik, J.R. Chelikowsky, V.V. Godlevsky: Phys. Rev. B 64, 245205 (2001)
L. Kronik, M. Jain, J.R. Chelikowsky: Phys. Rev. B 66, 041203 (2002)
M. Linnarsson, E. Janzen, B. Monemar, M. Kleverman, A. Thilderkvist: Phys. Rev. B 55, 6938 (1997)
R.Y. Korotkov et al.: Appl. Phys. Lett. 80, 1731 (2002)
E. Kojima, R. Shimano, Y. Hashimoto, S. Katsumoto, Y. Iye, M. Kuwata-Gonokami: Phys. Rev. B 68, 193203 (2002)
F.E. Arkun, M.J. Reed, E.A. Berkman, N.A. El-Masry, J.M. Zavada, M.L. Reed, S.M. Bedair: Appl. Phys. Lett. 85, 3809 (2004)
D. Loss, D.P. DiVincenzo: Phys. Rev. A 57, 120 (1998)
M. Ouyang, D.D. Awschalom: Science 301, 1074 (2003)
S. Sapra, D.D. Sarma, S. Sanvito, N.A. Hill: Nano Lett. 2, 605 (2002)
S. Cho, S. Choi, S.C. Korea, Y. Kim, J.B. Ketterson, B. Kim, Y.C. Kim, J. Jung: Phys. Rev. B. 66, 033303 (2002)
B. Oczkiewicz, A. Twardowski, M. Demianiuk: Solid State Commun. 64, 107 (1987)
D.J. Norris, N. Yao, F.T. Charnock, T.A. Kennedy: Nano Letters 1, 3 (2001)
X. Huang, J.R. Chelikowsky: Phys. Rev. B, in press
X. Huang, A. Makmal, J.R. Chelikowsky, L. Kronik: to be published
A. Stroppa, S. Picozzi, A. Continenza, A.J. Freeman: Phys. Rev. B 68, 155203 (2003)
L.M. Sandratskii: Phys. Rev. B 68, 224432 (2003)
These magnetic moments agree with a similar investigation of the three bulk alloys — T. Schulthess, W. Butler: J. Appl. Phys. 89, 7021 (2001)
Y.D. Park, A.T. Hanbicki, S.C. Erwin, C.S. Hellberg, J.M. Sullivan, J.E. Mattson, T.F. Ambrose, A. Wilson, G. Spanos, B.T. Jonker: Science 295, 651 (2002)
T. Dietl, H. Ohno, F. Matsukura, J. Cibert, D. Ferrand: Science 287, 1019 (2000)
Y.-J. Zhao, T. Shishidou, A.J. Freeman: Phys. Rev. Lett. 90, 047204 (2003)
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Kronik, L. (2007). First Principles Theory of Nano-Materials, Spintronic Materials, and Nano-Spintronic Materials. In: Landau, D.P., Lewis, S.P., Schüttler, HB. (eds) Computer Simulation Studies in Condensed-Matter Physics XVIII. Springer Proceedings in Physics, vol 105. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-32640-3_7
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DOI: https://doi.org/10.1007/978-3-540-32640-3_7
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