Download e-book for iPad: Theory of defects in semiconductors by David A. Drabold, Stefan Estreicher

By David A. Drabold, Stefan Estreicher

ISBN-10: 3540334009

ISBN-13: 9783540334002

Semiconductor technology and expertise is the artwork of illness engineering. The theoretical modeling of defects has greater dramatically over the last decade. those instruments are actually utilized to quite a lot of fabrics matters: quantum dots, buckyballs, spintronics, interfaces, amorphous platforms, and so forth. This quantity offers a coherent and targeted description of the sphere, and brings jointly leaders in theoretical study. trendy cutting-edge in addition to tomorrows instruments are mentioned: the supercell-pseudopotential approach, the GW formalism,Quantum Monte Carlo, learn-on-the-fly molecular dynamics, finite-temperature remedies, and so on. A wealth of functions are incorporated, from aspect defects to wafer bonding or the propagation of dislocation.

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Pearton, in GaN and Related Materials, ed. J. Pearton (Gordon and Breach, Amsterdam, 1997), p. 333 15. F. Jiang, M. Stavola, A. Rohatgi, D. Kim, J. Holt, H. Atwater, and J. Kalejs, Appl. Phys. Lett. 83, 931 (2003) 16. G. Davies, Phys. Rep. 176, 83 (1989) 17. D. Watkins, in Deep Centers in Semiconductors, ed. T. Pantelides (Gordon and Breach, New York, 1986), p. 147 18. V. N. Nevinnyi, Physica B 170, 155 (1991) and Mat. Sci. Engr. B 36, 133 (1996) 19. T. Pantelides, in Deep Centers in Semiconductors, ed.

Rev. Lett. 48, 1425 (1982) 81. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985) 82. O. J. Niklewski, Phys. Rev. B 40, 3979 (1989) 83. A. Zunger and A. Katzir, Phys. Rev. B 11, 2378 (1975) 84. G. Louie, M. R. L. Cohen, Phys. Rev. B 13, 1654 (1976) 85. W. L. Cohen, and C. Kittel, Phys. Rev. B 20, 5050 (1979) 86. J. H. Van Vleck, Phys. Rev. 49 232 (1936). 87. 1, the associated factorial growth in complexity, and its dire implications to attempts to compute many-particle states for large systems.

Efficient numerical techniques such as the fast Fourier transform (FFT) can be used. The replacement of the all-electron potential with a PP is, however, a non-trivial task where a balance has to be struck between optimal transferability (accurate reproduction of all-electron atom behavior) and computational efficiency (slow spatial variability). Several methods are popular for generating PPs. They include the generalized norm-conserving pseudopotentials of Hamann, [40] Troullier and Martins, [41] Hartwigsen et al.

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Theory of defects in semiconductors by David A. Drabold, Stefan Estreicher

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