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References

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  1. ↑ M. Akiyama, T. Kamohara, K. Kano, A. Teshigahara, Y. Takeuchi, and N. Kawahara. Enhancement of piezoelectric response in scandium aluminum nitride alloy thin films prepared by dual reactive cosputtering. Adv. Mater. 21, 593 (2009).
  2. ↑ H. A. Al-Brithen, A. R. Smith, and D. Gall. Surface and bulk electronic structure of ScN (001) investigated by scanning tunneling microscopy/spectroscopy and optical absorption spectroscopy. Phys. Rev. B 70, 045303 (2004).
  3. ↑ P. T. Barletta, E. A. Berkman, B. F. Moody, N. A. El-Masry, A. M. Emara, M. J. Reed, and S. M. Bedair. Development of green, yellow, and amber light emitting diodes using InGaN multiple quantum well structures. Appl. Phys. Lett. 90, 151109 (2007).
  4. ↑ B. Beaumont, Ph. Vennéguès, and P. Gibart. Epitaxial lateral overgrowth of GaN. Phys. Stat. Sol. B 227, 1 (2001).
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  6. ↑ M. A. Caro, S. Schulz, and E. P. O'Reilly. Theory of local electric polarization and its relation to internal strain: Impact on polarization potential and electronic properties of group-III nitrides. Phys. Rev. B 88, 214103 (2013).
  7. ↑ M. A. Caro. Extended scheme for the projection of material tensors of arbitrary symmetry onto a higher symmetry tensor. arXiv preprint arXiv:1408.1219 (2014).
  8. ↑ G. K.-L. Chan, A. J. Cohen and N. C. Handy. Thomas-Fermi-Dirac-von Weizsäcker models in finite systems. J. Chem. Phys. 114, 631 (2001).
  9. ↑ S. Chichibu, K. Wada, and S. Nakamura. Spatially resolved cathodoluminescence spectra of InGaN quantum wells. Appl. Phys. Lett. 71, 2346 (1997).
  10. ↑ H. K. Cho, J. Y. Lee, G. M. Yang, and C. S. Kim. Formation mechanism of V defects in the InGaN/GaN multiple quantum wells grown on GaN layers with low threading dislocation density. Appl. Phys. Lett. 79, 215 (2001).
  11. ↑ N. G. Chopra, R. J. Luyken, K. Cherrey, V. H. Crespi, M. L. Cohen, S. G. Louie, and A. Zettl. Boron nitride nanotubes. Science 269, 966 (1995).
  12. ↑ C. Constantin, H. Al-Brithen, M. B. Haider, D. Ingram, and A. R. Smith. ScGaN alloy growth by molecular beam epitaxy: Evidence for a metastable layered hexagonal phase. Phys. Rev. B 70, 193309 (2004).
  13. ↑ C. Constantin, M. B. Haider, D. Ingram, A. R. Smith, N. Sandler, K. Sun, and P. Ordejón. Composition-dependent structural properties in ScGaN alloy films: A combined experimental and theoretical study. J. Appl. Phys. 98, 123501 (2005).
  14. ↑ P. A. M. Dirac. Note on exchange phenomena in the Thomas atom. Proc. Cambridge Philos. Soc. 26, 376 (1930).
  15. ↑ J. Enkovaara, C. Rostgaard, J. J. Mortensen,J. Chen, M. Dułak, L. Ferrighi, J. Gavnholt, C. Glinsvad, V. Haikola, H. A. Hansen, H. H. Kristoffersen, M. Kuisma, A. H. Larsen, L. Lehtovaara, M. Ljungberg, O. Lopez-Acevedo, P. G. Moses, J. Ojanen, T. Olsen, V. Petzold, N. A. Romero, J. Stausholm-Møller, M. Strange, G. A. Tritsaris, M. Vanin, M. Walter, B. Hammer, H. Häkkinen, G. K. H. Madsen, R. M. Nieminen, J. K. Nørskov, M. Puska, T. T. Rantala, J. Schiøtz, K. S. Thygesen, and K. W. Jacobsen. Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method. J. Phys.: Condens. Matter 22, 253202 (2010).
  16. ↑ L. A. Espinosa Leal, A. Karpenko, M. A. Caro, and O. Lopez-Acevedo. Optimizing a parametrized Thomas-Fermi-Dirac-Weizsäcker functional for atoms. Phys. Chem. Chem. Phys. (accepted), DOI:10.1039/C5CP01211B (2015).
  17. ↑ E. Fermi. Un metodo statistico per la determinazione di alcune priorietà dell'atomo. Rend. Accad. Naz. Lincei 6, 32 (1927).
  18. ↑ P. Hohenberg and W. Kohn. Inhomogeneous Electron Gas. Phys. Rev. 136, B864 (1964).
  19. ↑ C. J. Humphreys. Does in form In-rich clusters in InGaN quantum wells? Philos. Mag. 87, 1971 (2007).
  20. ↑ C. J. Humphreys. Solid-state lighting. MRS Bull. 33, 459 2008.
  21. ↑ C. Hums, J. Bläsing, A. Dadgar, A. Diez, T. Hempel, J. Christen, A. Krost, K. Lorenz, and E. Alves. Metal-organic vapor phase epitaxy and properties of AlInN in the whole compositional range. Appl. Phys. Lett. 90, 022105 (2007).
  22. ↑ V. V. Karasiev and S. B. Trickey. Issues and challenges in orbital-free density functional calculations. Comp. Phys. Comm. 183, 2519 (2012).
  23. ↑ M. A. Khan, M. Shatalov, H. P. Maruska, H. M. Wang, and E. Kuokstis. III-nitride UV devices. Jpn. J. Appl. Phys. 44, 7191 (2005).
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  25. ↑ M. R. Krames, O. B. Shchekin, R. Mueller-Mach, G. O. Mueller, L. Zhou, G. Harbers, and M. G. Craford. Status and future of high-power light-emitting diodes for solid-state lighting. J. Disp. Technol. 3, 160 (2007).
  26. ↑ Y. Kuwahara, T. Fujii, T. Sugiyama, D. Iida, Y. Isobe, Y. Fujiyama, Y. Morita, M. Iwaya, T. Takeuchi, S. Kamiyama, I. Akasaki, and H. Amano. GaInN-based solar cells using strained-layer GaInN/GaInN superlattice active layer on a freestanding GaN substrate. Appl. Phys. Express 4, 021001 (2011).
  27. ↑ J. Lehtomäki, I. Makkonen, M. A. Caro, A. Harju, and O. Lopez-Acevedo. Orbital-free density functional theory implementation with the projector augmented-wave method. J. Chem. Phys. 141, 234102 (2014).
  28. ↑ M. Levy, J. P. Perdew, and V. Sahni. Exact differential equation for the density and ionization energy of a many-particle system. Phys. Rev. A 30, 2745 (1984).
  29. ↑ E. V. Ludeña and V. V. Karasiev. Kinetic energy functionals: history, challenges and prospects. In Reviews of Modern Quantum Chemistry Vol. 1, pp612 (World Scientific, Singapore, 2002).
  30. ↑ M. A. L. Marques, M. J. T. Oliveira, and T. Burnus. Libxc: A library of exchange and correlation functionals for density functional theory. Comp. Phys. Comm. 183, 2272 (2012).
  31. ↑ T. Matsuoka. Progress in nitride semiconductors from GaN to InN-MOVPE growth and characteristics. Superlattices and Microstructures 37, 19 (2005).
  32. ↑ U. K. Mishra, S. Likun, T. E. Kazior, and Y. F. Wu. GaN-based RF power devices and amplifiers. P. IEEE 96, 2875 (2008).
  33. ↑ M. Moakher and A. N. Norris. The closest elastic tensor of arbitrary symmetry to an elasticity tensor of lower symmetry. J. Elasticity 85, 215 (2006).
  34. ↑ M. A. Moram, Z. H. Barber, C. J. Humphreys, T. B. Joyce, and P. R. Chalker. Young's modulus, Poisson's ratio, and residual stress and strain in (111)-oriented scandium nitride thin films on silicon. J. Appl. Phys. 100, 023514 (2006).
  35. ↑ J. P. Mulkey and F. W. Oehme. A review of thallium toxicity. Vet. Hum. Toxicol. 35, 445 (1993).
  36. ↑ S. Nakamura, S. J. Pearton, and G. Fasol. The blue laser diode: the complete story. Springer Verlag, 2000.
  37. ↑ S. V. Novikov, N. M. Stanton, R. P. Campion, R. D. Morris, H. L. Geen, C. T. Foxon, and A.~J. Kent. Growth and characterization of free-standing zinc-blende (cubic) GaN layers and substrates. Semicond. Sci. Technol. 23, 015018 (2008).
  38. ↑ V. Ranjan, L. Bellaiche, and E. J. Walter. Strained hexagonal ScN: A material with unusual structural and optical properties. Phys. Rev. Lett. 90, 257602 (2003).
  39. ↑ A. Rubio, J. L. Corkill, and M. L. Cohen. Theory of graphitic boron nitride nanotubes. Phys. Rev. B 49, 5081 (1994).
  40. ↑ H. Schömig, S. Halm, A. Forchel, G. Bacher, J. Off, and F. Scholz. Probing individual localization centers in an InGaN/GaN quantum well. Phys. Rev. Lett. 92, 106802 (2004).
  41. ↑ C. Skierbiszewski, Z. R. Wasilewski, I. Grzegory, and S. Porowski. Nitride-based laser diodes by plasma-assisted MBE – from violet to green emission. J. Cryst. Growth 311, 1632 (2009).
  42. ↑ E. Teller. On the Stability of Molecules in the Thomas-Fermi Theory. Rev. Mod. Phys. 34, 627 (1962).
  43. ↑ L. H. Thomas. The calculation of atomic fields. Math. Proc. Cambridge Philos. Soc. 23, 542 (1927).
  44. ↑ I. Vurgaftman, J. R. Meyer, and L. R. Ram-Mohan. Band parameters for III-V compound semiconductors and their alloys. J. Appl. Phys. 89, 5815 (2001).
  45. ↑ I. Vurgaftman and J. R. Meyer. Band parameters for nitrogen-containing semiconductors. J. Appl. Phys. 94, 3675 (2003).
  46. ↑ J. Wu. When group-III nitrides go infrared: New properties and perspectives. J. Appl. Phys. 106, 011101 (2009).
  47. ↑ M. Yamada, T. Mitani, Y. Narukawa, S. Shioji, I. Niki, S. Sonobe, K. Deguchi, M. Sano, and T. Mukai. InGaN-based near-ultraviolet and blue-light-emitting diodes with high external quantum efficiency using a patterned sapphire substrate and a mesh electrode. Jpn. J. Appl. Phys. 41, L1431 (2002).
  48. ↑ A. Zaoui. Plane wave pseudopotential study of ground state properties and electrochemical description of thallium nitride. Mat. Sci. Eng. B 103, 258 (2003).
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