Monte Carlo Simulations Applied To Alx Gay In1-x-y X Quaternary Alloys (x=as,p,n): A Comparative Study

We develop a different Monte Carlo approach applied to the Ax By C1-x-y D quaternary alloys. Combined with first-principles total-energy calculations, the thermodynamic properties of the (Al,Ga,In) X (X=As, P, or N) systems are obtained and a comparative study is developed in order to understand the roles of As, P, and N atoms as the anion X in the system Alx Gay In1-x-y X. Also, we study the thermodynamics of specific compositions in which AlGaInN, AlGaInP, and AlGaInAs are lattice matched, respectively, to the GaN, GaAs, and InP substrates. We verify that the tendency for phase separation is always towards the formation of an In-rich phase. For arsenides and phosphides this occurs in general for lower temperatures than for their usual growth temperatures. This makes these alloys very stable against phase separation. However, for nitrides the In and/or Al concentrations have to be limited in order to avoid the formation of In-rich clusters and, even for low concentrations of In and/or Al, we observe a tendency of composition fluctuations towards the clustering of the ternary GaInN. We suggest that this latter behavior can explain the formation of the InGaN-like nanoclusters recently observed in the AlGaInN quaternary alloys. © 2005 The American Physical Society.7120Stringfellow, G.B., (1983) J. Appl. Phys., 54, p. 404. , JAPIAU 0021-8979 10.1063/1.331719Olego, D., Chang, T.Y., Silberg, E., Caridi, E.A., Pinczuk, A., (1982) Appl. Phys. Lett., 41, p. 476. , APPLAB 0003-6951 10.1063/1.93537Fujii, T., Nakata, Y., Sigiyama, Y., Hiyiamizu, S., (1986) Jpn. J. Appl. Phys., Part 1, 25, p. 254. , JAPNDE 0021-4922Mowbray, D.J., Kowalski, O.P., Hopkinson, M., Skolnick, M.S., David, J.P.R., (1994) Appl. Phys. Lett., 65, p. 213. , APPLAB 0003-6951 10.1063/1.112676Chen, G.S., Wang, T.Y., Stringfellow, G.B., (1990) Appl. Phys. Lett., 56, p. 1463. , APPLAB 0003-6951 10.1063/1.102499Gavrilovic, P., Dabkowski, F.P., Meehan, K., Willians, J.E., Stutius, W., Hsieh, K.C., Holonyak, N., Mahajan, S., (1988) J. Cryst. Growth, 93, p. 426. , JCRGAE 0022-0248 10.1016/0022-0248(88)90563-5Tanaka, T., Yanagisawa, H., Kakibayashi, H., Minagawa, S., Kajimura, T., (1991) Appl. Phys. Lett., 59, p. 1943. , APPLAB 0003-6951 10.1063/1.106143Nakamura, S., (1999) Semicond. Sci. Technol., 14, p. 27. , SSTEET 0268-1242 10.1088/0268-1242/14/6/201Li, J., Nam, K.B., Kim, K.H., Lin, J.Y., Jiang, H.X., (2001) Appl. Phys. Lett., 78, p. 61. , APPLAB 0003-6951 10.1063/1.1331087Kneissl, M., Treat, D.W., Teepe, M., Miyashita, N., Johnson, N.M., (2003) Appl. Phys. Lett., 82, p. 2386. , APPLAB 0003-6951 10.1063/1.1568160Yasan, A., McClintock, R., Mayes, K., Darvish, S.R., Zhang, H., Kung, P., Razeghi, M., Han, J.Y., (2002) Appl. Phys. Lett., 81, p. 2151. , APPLAB 0003-6951 10.1063/1.1508414Nagahama, S., Yanamoto, T., Sano, M., Mukai, T., (2001) Jpn. J. Appl. Phys., Part 1, 40, p. 788. , JAPNDE 0021-4922Hirayama, H., Kinoshita, A., Yamabi, T., Enomoto, Y., Hirata, A., Araki, T., Nanishi, Y., Aoyagi, Y., (2002) Appl. Phys. Lett., 80, p. 207. , APPLAB 0003-6951 10.1063/1.1433162Chen, C.H., Chen, Y.F., Lan, Z.H., Chen, L.C., Chen, K.H., Jiang, H.X., Lin, J.Y., (2004) Appl. Phys. Lett., 84, p. 1480. , APPLAB 0003-6951 10.1063/1.1650549Feng, S.W., Cheng, Y.C., Chung, Y.Y., Yang, C.C., Ma, K.J., Yan, C.C., Hsu, C., Jiang, H.X., (2003) Appl. Phys. Lett., 82, p. 1377. , APPLAB 0003-6951 10.1063/1.1556965Ferreira, L.G., Wei, S.-H., Zunger, A., (1991) Int. J. Supercomput. Appl., 5, p. 34. , IJSAE9 0890-2720Zarkevich, N.A., Johnson, D.D., (2003) Phys. Rev. B, 67, p. 064104. , PRBMDO 0163-1829 10.1103/PhysRevB.67.064104Drautz, R., Singer, R., Fähnle, M., (2003) Phys. Rev. B, 67, p. 035418. , PRBMDO. 0163-1829. 10.1103/PhysRevB.67.035418Sanchez, J.M., Ducastelle, F., Gratias, D., (1984) Physica a, 128, p. 334. , PHYADX 0378-4371 10.1016/0378-4371(84)90096-7Marques, M., Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Furthmuller, J., Bechstedt, F., (2003) Appl. Phys. Lett., 83, p. 890. , APPLAB 0003-6951 10.1063/1.1597986Kresse, G., Furthmüller, J., (1996) Comput. Mater. Sci., 6, p. 15. , CMMSEM. 0927-0256. 10.1016/0927-0256(96)00008-0Kresse, G., Furthmüller, J., (1996) Phys. Rev. B, 54, p. 11169. , PRBMDO. 0163-1829. 10.1103/PhysRevB.54.11169Metropolis, N., Rosenbluth, A.W., Rosenbluth, M.N., Teller, A.H., Teller, E., (1953) J. Chem. Phys., 21, p. 1087. , JCPSA6 0021-9606 10.1063/1.1699114Hohenberg, P., Kohn, W., (1965) Phys. Rev., 136, p. 864. , PRVBAK 0096-8269 10.1103/PhysRev.136.B864Vanderbilt, D., (1990) Phys. Rev. B, 41, p. 7892. , PRBMDO 0163-1829 10.1103/PhysRevB.41.7892Perdew, J.P., Zunger, A., (1981) Phys. Rev. B, 23, p. 5048. , PRBMDO 0163-1829 10.1103/PhysRevB.23.5048Monkhorst, H.J., Pack, J.D., (1974) Phys. Rev. B, 13, p. 5188. , PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188Vegard, L., (1921) Z. Phys., 5, p. 17. , ZEPYAA 0044-3328Cowley, J.M., (1950) J. Appl. Phys., 21, p. 24. , JAPIAU 0021-8979 10.1063/1.1699415Wei, S.-H., Ferreira, L.G., Bernard, J.E., Zunger, A., (1990) Phys. Rev. B, 42, p. 9622. , PRBMDO 0163-1829 10.1103/PhysRevB.42.9622Teles, L.K., Furthmüller, J., Scolfaro, L.M.R., Leite, J.R., Bechstedt, F., (2000) Phys. Rev. B, 62, p. 2475. , PRBMDO. 0163-1829. 10.1103/PhysRevB.62.2475Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Furthmller, J., Bechstedt, F., (2002) J. Appl. Phys., 92, p. 7109. , JAPIAU 0021-8979 10.1063/1.1518136Marques, M., Teles, L.K., Scolfaro, L.M.R., Ferreira, L.G., Leite, J.R., (2004) Phys. Rev. B, 70, p. 073202. , PRBMDO 0163-1829 10.1103/PhysRevB.70.073202Borroff, R., Merlin, R., Chin, A., Bhattacharya, P.K., (1988) Appl. Phys. Lett., 53, p. 1652. , APPLAB 0003-6951 10.1063/1.100441Ozoliņš, V., Wolverton, C., Zunger, A., (1998) Phys. Rev. B, 57, p. 6427. , PRBMDO 0163-1829 10.1103/PhysRevB.57.642

Theoretical Study Of Strain-induced Ordering In Cubic Inxga 1-xn Epitaxial Layers

Chemical ordering in cubic epitaxial InxGa1-xN layers is investigated by combining first-principles pseudo-potential plane-wave total-energy calculations, a local concentration-dependent cluster-based method, and Monte Carlo simulations. It is found that for the unstrained or fully relaxed layers there are no stable ordered structures, indicating the tendency of the alloy to undergo phase separation, in agreement with previous calculations and experiment. The energetics of the InxGal 1-xN layers pseudomorphycally grown on fully relaxed GaN (001) buffers shows that biaxial strain acts as the driving force for chemical ordering in the alloys. It is found that strained InxGa 1-xN alloy comprises stable ordered structures which are (210)-oriented super-lattices with composition in the range [0.5,0.63], the [AABB] alternation of planes (configuration "chalcopy-rite") being the most stable phase.69242453171-245317-10Nakamura, S., Fasol, G., (1997) The Blue Laser Diode, , Springer, BerlinAmbacher, O., (1998) J. Phys. D, 31, p. 2653Pearton, S.J., Zolper, J.C., Shul, R.J., Ren, F., (1999) J. Appl. Phys., 86, p. 1Kung, P., Razeghi, M., (2000) Opto-Electron. Rev., 8, p. 201(1991) Data in Science and Technology: Semiconductors, , edited by O. Madelung (Springer-Verlag, Berlin)Davydov, V.Yu., Klochikhin, A.A., Seisyan, R.P., Emtsev, V.V., Ivanov, S.V., Bechstedt, F., Furthmüller, J., Graul, J., (2002) Phys. Status Solidi B, 229, pp. R1Wu, J., Walukiewicz, W., Yu, K.M., Ager III, J.W., Haller, E.E., Lu, H., Schaff, W.J., Nanishi, Y., (2002) Appl. Phys. Lett., 80, p. 3967Chichibu, S., Azuhata, T., Sota, T., Nakamura, S., (1996) Appl. Phys. Lett., 69, p. 4188(1997) Appl. Phys. Lett., 70, p. 2822O'Donnell, K.P., Martin, R.W., Middleton, P.G., (1999) Phys. Rev. Lett., 82, p. 237Wetzel, C., Takeuchi, T., Amano, H., Akasaki, I., (1999) J. Appl. Phys., 85, p. 3786Chichibu, S.F., Abare, A.C., Mack, M.P., Minsky, M.S., Deguchi, T., Cohen, D., Kozodoy, P., Nakamura, S., (1999) Mater. Sci. Eng., B, 59, p. 298Lemos, V., Silveira, E., Leite, J.R., Tabata, A., Trentin, R., Scolfaro, L.M.R., Frey, T., Lischka, K., (2000) Phys. Rev. Lett., 84, p. 3666Krestnikov, I.L., Ledentsov, N.N., Hoffmann, A., Bimberg, D., Sakharov, A.V., Lundin, W.V., Tsatsul'Nikov, A.F., Gerthsen, D., (2002) Phys. Rev. B, 66, p. 155310Husberg, O., Khartchenko, A., As, D.J., Vogelsang, H., Frey, T., Schikora, D., Lischka, K., Leite, J.R., (2001) Appl. Phys. Lett., 79, p. 1243Behbehani, M.K., Piner, E.L., Liu, S.X., El-Masry, N.A., Bedair, S.M., (1999) Appl. Phys. Lett., 75, p. 2202Yamaguchi, S., Kariya, M., Nitta, S., Kato, H., Takeuchi, T., Wetzel, C., Amano, H., Akasaki, I., (1998) J. Cryst. Growth, 195, p. 309Teles, L.K., Furthmüller, J., Scolfaro, L.M.R., Leite, J.R., Bechstedt, F., (2000) Phys. Rev. B, 62, p. 2475Tabata, A., Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Kharchenko, A., Frey, T., As, D.J., Bechstedt, F., (2002) Appl. Phys. Lett., 80, p. 769Singh, R., Doppalapudi, D., Moustakas, T.D., Romano, L.T., (1997) Appl. Phys. Lett., 70, p. 1089Doppalapudi, D., Basu, S.N., Ludwig Jr., K.F., Moustakas, T.D., (1998) J. Appl. Phys., 84, p. 1389Ruterana, P., Nouet, G., Van Der Stricht, W., Moerman, I., Considine, L., (1998) Appl. Phys. Lett., 72, p. 1742Northrup, E., Romano, L.T., Neugebauer, J., (1999) Appl. Phys. Lett., 74, p. 2319Srivastava, G.P., Martins, J.L., Zunger, A., (1985) Phys. Rev. B, 31, pp. R2561Ferreira, L.G., Wei, S.-H., Zunger, A., (1991) Int. J. Supercomput. Appl., 5, p. 34Wei, S.-H., Ferreira, L.G., Zunger, A., (1992) Phys. Rev. B, 45, p. 2533Zunger, A., (1994) Handbook of Crystal Growth, 3, p. 998. , D. T. J. Hurle, Elsevier, AmsterdamTeles, L.K., Ferreira, L.G., Leite, J.R., Scolfaro, L.M.R., Kharchenko, A., Husberg, O., As, D.J., Lischka, K., (2003) Appl. Phys. Lett., 82, p. 4274Sanchez, J.M., Ducastelle, F., Gratias, D., (1984) Physica A, 128, p. 334Ozoliņš, V., Wolverton, C., Zunger, A., (1998) Phys. Rev. B, 57, p. 6427Lu, Z.W., Wei, S.-H., Zunger, A., Frota-Pessoa, S., Ferreira, L.G., (1991) Phys. Rev. B, 44, p. 512De Fontaine, D., (1979) Solid State Physics, 34, p. 73. , edited by H. Ehrenreich, F. Seitz, and D. Turnbull (Academic, New York)Connolly, J.W.D., Williams, A.R., (1983) Phys. Rev. B, 27, p. 5169Ferreira, L.G., Wei, S.-H., Zunger, A., (1989) Phys. Rev. B, 40, p. 3197Mbaye, A.A., Ferreira, L.G., Zunger, A., (1987) Phys. Rev. Lett., 58, p. 49Ferreira, L.G., Mbaye, A.A., Zunger, A., (1988) Phys. Rev. B, 37, pp. 10 547Ferreira, L.G., Ozoliņš, V., Zunger, A., (1999) Phys. Rev. B, 60, p. 1687Hohenberg, P., Kohn, W., (1964) Phys. Rev., 136, pp. B864Kohn, W., Sham, L.J., (1965) Phys. Rev., 140, pp. A1133Vanderbilt, D., (1990) Phys. Rev. B, 41, p. 7892Großner, U., Furthmüller, J., Bechstedt, F., (1998) Phys. Rev. B, 58, pp. R1722Großner, U., Furthmüller, J., Bechstedt, F., (1999) Appl. Phys. Lett., 74, p. 3851Perdew, J.P., Zunger, A., (1981) Phys. Rev. B, 23, p. 5048Monkhorst, H.J., Pack, J.D., (1976) Phys. Rev. B, 13, p. 5188Kresse, G., Furthmüller, J., (1996) Phys. Rev. B, 54, pp. 11 169Kresse, G., Furthmüller, J., (1996) Comput. Mater. Sci., 6, p. 15Metropolis, N., Rosenbluth, A.W., Rosenbluth, M.N., Teller, A.H., Teller, E., (1953) J. Chem. Phys., 21, p. 1087Zunger, A., (1987) Appl. Phys. Lett., 50, p. 164Neugebauer, J., Van De Walle, C.G., (1995) Phys. Rev. B, 51, pp. 10 568Scolfaro, L.M.R., (2002) Phys. Status Solidi A, 190, p. 15Silveira, E., Tabata, A., Leite, J.R., Trentin, R., Lemos, V., Frey, T., As, D.J., Lischka, K., (1999) Appl. Phys. Lett., 75, p. 3602Saito, T., Arakawa, Y., (1999) Phys. Rev. B, 60, p. 1701Takayama, T., Yuri, M., Itoh, K., Baba, T., Harris Jr., J.S., (2000) J. Appl. Phys., 88, p. 1104Karpov, Yu.S., (1998) MRS Internet J. Nitride Semicond. Res., 3, p. 16Shimotomai, M., Yoshikawa, A., (1998) Appl. Phys. Lett., 73, p. 325

Nontunneled central venous catheter bloodstream infections in pediatric surgery

n/

O Direito ao Trabalho e Sua Relação com o Bem Estar do Homem

The work establishes important connection to the well-being; understood here with the closest meaning of happiness, quality of life and life satisfaction. The work in its subjective perspective exceeds the guarantee that man has access to essential items for survival, can cite among them: food, water, housing, social assistance, education, healthy environment and safety. The right to work and its value as a dignifying activity is essential to ensure the well being of people, consisting even in the subjective part of the right to happiness and integral quality of life.O trabalho estabelece importante conexão com o bem estar; entendido aqui com o significado muito próximo de felicidade, qualidade de vida ou satisfação com a vida. O trabalho em sua perspectiva subjetiva supera a garantia de que o homem tenha acesso a itens essenciais de sobrevivência, podendo citar dentre eles: alimentação, água, habitação, assistência social, educação, meio ambiente saudável e segurança. O direito ao trabalho e sua valorização como atividade dignificante é imprescindível para assegurar o bem estar das pessoas, consistindo, inclusive, na parte subjetiva do direito à felicidade e integrante da qualidade de vida

Microscopic Description Of The Phase Separation Process In Al Xgayin1-x-yn Quaternary Alloys

Ab initio total energy electronic structure calculations are combined with Monte Carlo simulations to study the thermodynamic properties of Al xGayIn1-x-yN quaternary alloys. We provide a microscopic description of the phase separation process by analyzing the thermodynamic behavior of the different atoms with respect to the temperature and cation contents. We obtained, at growth temperatures, the range of compositions for the stable and unstable phases. The presence of Al in InGaN is proven to "catalyze" the phase separation process for the formation of the In-rich phase. Based on our results, we propose that the ultraviolet emission currently seen in samples containing AlInGaN quaternaries arises from the matrix of a random alloy, in which composition fluctuations toward InGaN- and AlGaN-like alloys formation may be present, and that a coexisting emission in the green-blue region results from the In-rich segregated clusters.707732021-073202-4Lemos, V., Silveira, E., Leite, J.R., Tabata, A., Trentin, R., Scolfaro, L.M.R., Frey, T., Lischka, K., (2000) Phys. Rev. Lett., 84, p. 3666. , and references thereinKung, P., Razegui, M., (2000) Opto-Electron. Rev., 8, p. 201Kneissl, M., Treat, D.W., Teepe, M., Miyashita, N., Johnson, N.M., (2003) Appl. Phys. Lett., 82, p. 2386Adivarahan, V., Chitnis, A., Zhang, J.P., Shatalov, M., Yang, J.W., Simin, G., Khan, M.A., Shur, M.S., (2001) Appl. Phys. Lett., 79, p. 4240Yasan, A., McClintock, R., Mayes, K., Darvish, S.R., Zhang, H., Kung, P., Razeghi, M., Han, J.Y., (2002) Appl. Phys. Lett., 81, p. 2151Nagahama, S., Yanamoto, T., Sano, M., Mukai, T., (2001) Jpn. J. Appl. Phys., Part 2, 40, pp. L778Teles, L.K., Furthmüller, J., Scolfaro, L.M.R., Leite, J.R., Bechstedt, F., (2000) Phys. Rev. B, 62, p. 2475Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Furthmüller, J., Bechstedt, F., (2002) J. Appl. Phys., 92, p. 7109Tamulaitis, G., Kazlauskas, K., Jursenas, S., Zukauskas, A., Khan, M.A., Yang, J.W., Zhang, J., Gaska, R., (2000) Appl. Phys. Lett., 77, p. 2136Hirayama, H., Kinoshita, A., Yamabi, T., Enomoto, Y., Hirata, A., Araki, T., Nanishi, Y., Aoyagi, Y., (2002) Appl. Phys. Lett., 80, p. 207Chen, C.H., Chen, Y.F., Lan, Z.H., Chen, L.C., Chen, K.H., Jiang, H.X., Lin, J.Y., (2004) Appl. Phys. Lett., 84, p. 1480Feng, S.W., Cheng, Y.C., Chung, Y.Y., Yang, C.C., Ma, K.J., Yan, C.C., Hsu, C., Jiang, H.X., (2003) Appl. Phys. Lett., 82, p. 1377Yamaguchi, S., Kariya, M., Nitta, S., Kato, H., Takeuchi, T., Wetzel, C., Amano, H., Akasaki, I., (1998) J. Cryst. Growth, 195, p. 309Takayama, T., Yuri, M., Itoh, K., Harris Jr., J.S., (2001) J. Appl. Phys., 90, p. 2358Matsuoka, T., (1998) MRS Internet J. Nitride Semicond. Res., 3, p. 54Marques, M., Teles, L.K., Ferreira, L.G., Scolfaro, L.M.R., Leite, J.R., unpublishedKresse, G., Furthmüller, J., (1996) Comput. Mater. Sci., 6, p. 15Marques, M., Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Furthmüller, J., Bechstedt, F., (2003) Appl. Phys. Lett., 83, p. 890Ferreira, L.G., Wei, S.-H., Zunger, A., (1991) Int. J. Opt. Sens., 5, p. 34Metropolis, N., Rosenbluth, A.W., Rosenbluth, M.N., Teller, A.H., Teller, E., (1953) J. Chem. Phys., 21, p. 1087Cowley, J.M., (1950) J. Appl. Phys., 21, p. 2

Vertically acquired hepatitis C virus infection: Correlates of transmission and disease progression

The worldwide prevalence of hepatitis C virus (HCV) infection in children is 0.05%-0.4% in developed countries and 2%-5% in resource-limited settings, where inadequately tested blood products or un-sterile medical injections still remain important routes of infection. After the screening of blood donors, mother-to-child transmission (MTCT) of HCV has become the leading cause of pediatric infection, at a rate of 5%. Maternal HIV co-infection is a significant risk factor for MTCT and anti-HIV therapy during pregnancy seemingly can reduce the transmission rate of both viruses. Conversely, a high maternal viral load is an important, but not preventable risk factor, because at present no anti-HCV treatment can be administered to pregnant women to block viral replication. Caution is needed in adopting obstetric procedures, such as amniocentesis or internal fetal monitoring, that can favor fetal exposure to HCV contaminated maternal blood, though evidence is lacking on the real risk of single obstetric practices. Mode of delivery and type of feeding do not represent significant risk factors for MTCT. Therefore, there is no reason to offer elective caesarean section or discourage breast-feeding to HCV infected parturients. Information on the natural history of vertical HCV infection is limited. The primary infection is asymptomatic in infants. At least one quarter of infected children shows a spontaneous viral clearance (SVC) that usually occurs within 6 years of life. IL-28B polymorphims and genotype 3 infection have been associated with greater chances of SVC. In general, HCV progression is mild or moderate in children with chronic infection who grow regularly, though cases with marked liver fibrosis or hepatic failure have been described. Non-organ specific autoantibodies and cryoglobulins are frequently found in children with chronic infection, but autoimmune diseases or HCV associated extrahepatic manifestations are rare

Statistical Model Applied To Ax By C1-x-y D Quaternary Alloys: Bond Lengths And Energy Gaps Of Alx Gay In1-x-y X (x=as, P, Or N) Systems

We extend the generalized quasichemical approach (GQCA) to describe the Ax By C1-x-y D quaternary alloys in the zinc-blende structure. Combining this model with ab initio ultrasoft pseudopotential calculations within density functional theory, the structural and electronic properties of Alx Gay In1-x-y X (X=As, P, or N) quaternary alloys are obtained, taking into account the disorder and composition effects. Results for the bond lengths show that the variation with the compositions is approximately linear and also does not deviate very much from the value of the corresponding binary compounds. The maximum variation observed amounts to 3.6% for the In-N bond length. For the variation of band gap, we obtain a bowing parameter b=0.26 eV for the (Ga0.47 In0.53 As)z (Al0.48 In0.52 As)1-z quaternary alloy lattice matched to InP, in very good agreement with experimental data. In the case of AlGaInN, we compare our results for the band gap to data for the wurtzite phase. We also obtained a good agreement despite all evidences for cluster formation in this alloy. Finally, a bowing parameter of 0.22 eV is obtained for zinc-blende AlGaInN lattice matched with GaN. © 2006 The American Physical Society.7323Li, J., Nam, K.B., Kim, K.H., Lin, J.Y., Jiang, H.X., (2001) Appl. Phys. Lett., 78, p. 61. , APPLAB 0003-6951 10.1063/1.1331087Adivarahan, V., Chitnis, A., Zhang, J.P., Shatalov, M., Yang, J.W., Simin, G., Asif Khan, M., Shur, M.S., (2001) Appl. Phys. Lett., 79, p. 4240. , APPLAB 0003-6951 10.1063/1.1425453Yasan, A., McClintock, R., Mayes, K., Darvish, S.R., Kung, P., Razegui, M., (2002) Appl. Phys. Lett., 81, p. 801. , APPLAB 0003-6951 10.1063/1.1497709Nagahama, S., Yanamoto, T., Sano, M., Mukai, T., (2001) Jpn. J. Appl. Phys., Part 1, 40, p. 788. , JAPNDE 0021-4922 10.1143/JJAP.40.L788Fujii, T., Nakata, Y., Sigiyama, Y., Hiyiamizu, S., (1986) Jpn. J. Appl. Phys., 25, p. 254. , JAPLD8 0021-4922Olego, D., Chang, T.Y., Silberg, E., Caridi, E.A., Pinczuk, A., (1982) Appl. Phys. Lett., 41, p. 476. , APPLAB 0003-6951 10.1063/1.93537Hirayama, H., Kinoshita, A., Yamabi, T., Enomoto, Y., Hirata, A., Araki, T., Nanishi, Y., Aoyagi, Y., (2002) Appl. Phys. Lett., 80, p. 207. , APPLAB 0003-6951 10.1063/1.1433162Takayama, T., Yuri, M., Itoh, K., Baba, T., Harris Jr., J.S., (2001) J. Cryst. Growth, 222, p. 29. , JCRGAE 0022-0248 10.1016/S0022-0248(00)00869-1Koukitu, A., Kumegai, Y., Seki, H., (2000) J. Cryst. Growth, 221, p. 743. , JCRGAE 0022-0248Feng, S.-W., Cheng, Y.-C., Chung, Y.-Y., Yang, C.C., Ma, K.-J., Yan, C.-C., Hsu, C., Jiang, H.X., (2003) Appl. Phys. Lett., 82, p. 1377. , APPLAB 0003-6951 10.1063/1.1556965Chen, C.H., Chen, Y.F., Lan, Z.H., Chen, L.C., Chen, K.H., Jiang, H.X., Lin, J.Y., (2004) Appl. Phys. Lett., 84, p. 1480. , APPLAB 0003-6951 10.1063/1.1650549Marques, M., Teles, L.K., Scolfaro, L.M.R., Ferreira, L.G., Leite, J.R., (2004) Phys. Rev. B, 70, p. 073202. , PRBMDO 0163-1829 10.1103/PhysRevB.70.073202Marques, M., Ferreira, L.G., Teles, L.K., Scolfaro, L.M.R., (2005) Phys. Rev. B, 71, p. 205204. , PRBMDO 0163-1829 10.1103/PhysRevB.71.205204Teles, L.K., Furthmüller, J., Scolfaro, L.M.R., Leite, J.R., Bechstedt, F., (2000) Phys. Rev. B, 62, p. 2475. , PRBMDO. 0163-1829. 10.1103/PhysRevB.62.2475Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Furthmüller, J., Bechstedt, F., (2002) J. Appl. Phys., 92, p. 7109. , JAPIAU. 0021-8979. 10.1063/1.1518136Teles, L.K., Furthmüller, J., Scolfaro, L.M.R., Leite, J.R., Bechstedt, F., (2001) Phys. Rev. B, 63, p. 085204. , PRBMDO. 0163-1829. 10.1103/PhysRevB.63.085204Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Furthmüller, J., Bechstedt, F., (2002) Appl. Phys. Lett., 80, p. 1177. , APPLAB. 0003-6951. 10.1063/1.1450261Tabata, A., Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Kharchenko, A., Frey, T., As, D.J., Bechstedt, F., (2002) Appl. Phys. Lett., 80, p. 769. , APPLAB. 0003-6951. 10.1063/1.1436270Connolly, J.W.D., Williams, A.R., (1983) Phys. Rev. B, 27, p. 5169. , PRBMDO 0163-1829 10.1103/PhysRevB.27.5169Chen, A.-B., Sher, A., (1995) Semiconductor Alloys, , Plenum Press, New YorkKresse, G., Furthmüller, J., (1996) Comput. Mater. Sci., 6, p. 15. , CMMSEM. 0927-0256. 10.1016/0927-0256(96)00008-0Kresse, G., Furthmüller, J., (1996) Phys. Rev. B, 54, p. 11169. , PRBMDO. 0163-1829. 10.1103/PhysRevB.54.11169Hohenberg, P., Kohn, W., (1964) Phys. Rev., 136, p. 864. , PRVBAK 0096-8269 10.1103/PhysRev.136.B864Kohn, W., Sham, L.J., (1965) Phys. Rev., 140, p. 1133. , PRVAAH 0096-8250 10.1103/PhysRev.140.A1133Vanderbilt, D., (1990) Phys. Rev. B, 41, p. 7892. , PRBMDO 0163-1829 10.1103/PhysRevB.41.7892Perdew, J.P., Zunger, A., (1981) Phys. Rev. B, 23, p. 5048. , PRBMDO 0163-1829 10.1103/PhysRevB.23.5048Monkhorst, H.J., Pack, J.D., (1976) Phys. Rev. B, 13, p. 5188. , PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188Marques, M., Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Furthmüller, J., Bechstedt, F., (2003) Appl. Phys. Lett., 83, p. 890. , APPLAB. 0003-6951. 10.1063/1.1597986Jeffs, N.J., Blant, A.V., Cheng, T.S., Foxon, C.T., Bailey, C., Harrison, P.G., Mosselmans, J.F.W., Dent, A.J., (1998) Mater. Res. Soc. Symp. Proc., 512, p. 519. , MRSPDH 0272-9172Miyano, K.E., Woicik, J.C., Robins, L.H., Bouldin, C.E., Wickenden, D.K., (1997) Appl. Phys. Lett., 70, p. 2108. , APPLAB 0003-6951 10.1063/1.118963Saito, T., Arakawa, Y., (1999) Phys. Rev. B, 60, p. 1701. , PRBMDO 0163-1829 10.1103/PhysRevB.60.1701Sze, S.M., (1981) Physics of Semiconductor Devices, , Wiley, New YorkChen, S.-G., Fan, X.-Q., (1997) J. Phys.: Condens. Matter, 9, p. 3151. , JCOMEL 0953-8984 10.1088/0953-8984/9/15/008Sökeland, F., Rohlfing, M., Krüger, P., Pollmann, J., (2003) Phys. Rev. B, 68, p. 075203. , PRBMDO. 0163-1829. 10.1103/PhysRevB.68.075203Schörmann, J., Potthast, S., Schnietz, M., Li, S.F., As, D.J., Lischka, K., Phys. Status Solidi C, , ZZZZZZ. 1610-1634 (to be published)Yu. Davydov, V., Klochikhin, A.A., Seisyan, R.P., Emtsev, V.V., Ivanov, S.V., Bechstedt, F., Furthmüller, J., Graul, J., (2002) Phys. Status Solidi B, 229, p. 1. , PSSBBD. 0370-1972. 10.1002/1521-3951(200202)229:33.0.CO;2-OYu. Davydov, V., Klochikhin, A.A., Emtsev, V.V., Kurdyukov, D.A., Ivanov, S.V., Vekshin, V.A., Bechstedt, F., Haller, E.E., (2002) Phys. Status Solidi B, 234, p. 787. , PSSBBD. 0370-1972. 10.1002/1521-3951(200212)234:33.0.CO;2-HBechstedt, F., Furthmüller, J., Ferhat, M., Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Yu. Davydov, V., Goldhahn, R., (2003) Phys. Status Solidi a, 195, p. 628. , PSSABA. 0031-8965. 10.1002/pssa.200306164(1998) Gallium Nitride (GaN) I and II, Semiconductors and Semimetals, 50. , edited by J. I. Pankove and T. D. Moustakas, Vol. Academic Press, New York(1999), 57. , ibid. Vol. Academic Press, New YorkNadja, S.P., Kean, A.H., Dawson, M.D., Duggan, G., (1995) J. Appl. Phys., 77, p. 3412. , JAPIAU 0021-8979 10.1063/1.358631McIntosh, F.G., Boutros, K.S., Roberts, J.C., Bedair, S.M., Piner, E.L., El-Masry, N.A., (1996) Appl. Phys. Lett., 68, p. 40. , APPLAB 0003-6951 10.1063/1.116749Ryu, M.-Y., Chen, C.Q., Kuokstis, E., Yang, J.W., Simin, G., Khan, M.A., W. Yu, S.P., (2002) Appl. Phys. Lett., 80, p. 3943. , APPLAB 0003-6951 10.1063/1.1482415Yamaguchi, S., Kariya, M., Nitta, S., Kato, H., Takeuchi, T., Wetzel, C., Amano, H., Akasaki, I., (1998) J. Cryst. Growth, 195, p. 309. , JCRGAE 0022-0248 10.1016/S0022-0248(98)00629-0Davies, J.I., Marshall, A.C., Scott, M.D., Griffiths, R.J.M., (1988) Appl. Phys. Lett., 53, p. 276. , APPLAB 0003-6951 10.1063/1.100593Kopf, R.F., Wei, H.P., Perley, A.P., Livescu, G., (1992) Appl. Phys. Lett., 60, p. 2386. , APPLAB 0003-6951 10.1063/1.107005Cury, L.A., Beerens, J., Praseuth, J.P., (1993) Appl. Phys. Lett., 63, p. 1804. , APPLAB 0003-6951 10.1063/1.110668Böhrer, J., Krost, A., Bimberg, D.B., (1993) Appl. Phys. Lett., 63, p. 1918. , APPLAB. 0003-6951. 10.1063/1.110648Fan, J.C., Chen, Y.F., (1996) J. Appl. Phys., 80, p. 1239. , JAPIAU 0021-8979 10.1063/1.362862Vurgaftman, I., Meyer, J.R., Ram-Mohan, L.R., (2001) J. Appl. Phys., 89, p. 5815. , JAPIAU 0021-8979 10.1063/1.1368156Han, J., Figiel, J.J., Petersen, G.A., Myers, S.M., Crawford, M.H., Banas, M.A., (2000) Jpn. J. Appl. Phys., Part 1, 39, p. 2372. , JAPNDE 0021-4922 10.1143/JJAP.39.2372Aumer, M.E., Leboeuf, S.F., McIntosh, F.G., Bedair, S.M., (1999) Appl. Phys. Lett., 75, p. 3315. , APPLAB 0003-6951 10.1063/1.12533