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    Phase Separation, Effects Of Biaxial Strain, And Ordered Phase Formations In Cubic Nitride Alloys

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    The thermodynamics as well as the energetics and the structural properties of cubic group-III nitrides alloys have been investigated by combining first-principles total energy calculations and cluster expansion methods. In particular results are shown for the ternary In xGa 1-xN and the quaternary Al xGa yIn 1-x-yN alloys. Phase separation is predicted to occur at growth temperatures, for both fully relaxed alloys. A remarkable influence of an external biaxial strain on the phase separation, with the formation of ordered phase structures has been found for the InGaN alloy. These findings are used to clarify the origin of the light emission process in InGaN-based optoelectronic devices. Results are shown for the composition dependence of the lattice constant and of the energy gap in quaternary Al xGa yIn 1-x-yN alloys. © 2004 Elsevier Ltd. All rights reserved.3515357Nakamura, S., (1999) Semic. Sci. Technol., 14, pp. R27Kung, P., Razegui, M., (2000) Opt. Electron. Rev., 8, p. 201Khan, M.A., Kuznia, J.N., Olson, D.T., Schaff, W.J., Burm, J.W., Shur, M., (1995) Appl. Phys. Lett., 65, p. 1121Li, J., Nam, B., Kim, K.H., Lin, J.Y., Jiang, H.X., (2001) Appl. Phys. Lett., 78, p. 61Adivarahan, 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. 4240Yasan, A., Mcclintock, R., Mayes, K., Darvish, S.R., Kung, P., Razegui, M., (2002) Appl. Phys. Lett., 81, p. 801Nagahama, S., Yanamoto, T., Sano, M., Mukai, T., (2001) Jpn. J. Appl. Phys., 40, pp. L788Madelung, O., (1991) Data in Science and Technology: Semiconductors, , Berlin: SpringerDavydov, V.Y., Klochikhin, A.A., Seisyan, R.P., Emtsev, V.V., Ivanov, S.V., Bechstedt, F., Furthmüller, J., Graul, J., (2002) Phys. Stat. Sol. (b), 229, pp. R1Lemos, V., Silveira, E., Leite, J.R., Tabata, A., Trentin, R., Scolfaro, L.M.R., Frey, T., Lischka, K., (2000) Phys. Rev. Lett., 84, p. 3666Chichibu, S., Azuhata, T., Sota, T., Nakamura, S., (1996) Appl. Phys. Lett., 69, p. 4188Chichibu, S., Azuhata, T., Sota, T., Nakamura, S., (1997) Appl. Phys. Lett., 70, p. 2822O'donnell, K.P., Martin, R.W., Middleton, P.G., (1999) Phys. Rev. Lett., 82, p. 237Husberg, O., Khartchenko, A., As, D.J., Vogelsang, H., Frey, T., Schikora, D., Lischka, K., Leite, J.R., (2001) Appl. Phys. Lett., 79, p. 1243Tabata, 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. 769Behbehani, M.K., Piner, E.L., Liu, S.X., El-Masry, N.A., Bedair, S.M., (1999) Appl. Phys. Lett., 75, p. 2202Ruterana, P., Nouet, G., Der Stricht, W.V., Moerman, I., Considine, L., (1998) Appl. Phys. Lett., 72, p. 1742Teles, L.K., Furthmüller, J., Scolfaro, L.M.R., Leite, J.R., Bechstedt, F., (2000) Phys. Rev., B62, p. 2475Teles, L.K., Furthmüller, J., Scolfaro, L.M.R., Leite, J.R., Bechstedt, F., (2001) Phys. Rev., B63, p. 085204Teles, L.K., Scolfaro, L.M.R., Furthmüller, J., Leite, J.R., Bechstedt, F., (2002) J. Appl. Phys., 92, p. 7109Teles, 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. 4274Marques, M., Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Furthmüller, J., Bechstedt, F., (2003) Appl. Phys. Lett., 83, p. 890Kresse, G., Furthmüller, J., (1996) Comput. Mat. Sci., 6, p. 15Kresse, G., Furthmüller, J., (1996) Phys. Rev., B54, p. 11169Silveira, E., Tabata, A., Leite, J.R., Trentin, R., Lemos, V., Frey, T., As, D.J., Lischka, K., (1999) Appl. Phys. Lett., 75, p. 3602Zunger, A., (1994) Handbook of Crystal Growth, 3, p. 998. , Hurle D.T.J.(Ed.), Amsterdam: ElsevierFerreira, L.G., Wei, S.-H., Zunger, A., (1991) Int. J. Supercomp. Appl., 5, p. 34Mcintosh, F.G., Boutros, K.S., Roberts, J.C., Bedair, S.M., Piner, E.L., El-Masry, N.A., (1996) Appl. Phys. Lett., 68, p. 40Aumer, M.E., Leboeuf, S.F., Mcintosh, F.G., Bedair, S.M., (1999) Appl. Phys. Lett., 75, p. 331

    Experimental Dynamical Variables Of A Chaotic Co2 Laser With Saturable Absorber

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    A weak continuous beam of a CO2 laser was used to probe the time changing gain and absorption inside the cavity of a passive Q-switching CO2 laser with SF6 gas in an intracavity saturable absorber cell. The probe variations detected simultaneously with the laser intensity pulses gave experimental projection planes of the chaotic system attractor.55324632466Tachikawa, M., Hong, F.L., Tanii, K., Shimizu, T., (1988) Phys. Rev. Lett., 60, p. 2266Dangoisse, D., Bekkali, A., Papoff, F., Glorieux, P., (1988) Europhys. Lett., 6, p. 335Zambon, B., De Tomasi, F., Hennequin, D., Arimondo, E., (1989) Phys. Rev. A, 40, p. 3782Lefranc, M., Hennequin, D., Dangoisse, D., (1991) J. Opt. Soc. Am. B, 8, p. 239Zambon, B., (1991) Phys. Rev. A, 44, p. 688Papoff, F., Fioretti, A., Arimondo, E., Mindlin, G.B., Solari, H., Gilmore, R., (1992) Phys. Rev. Lett., 68, p. 1128Alcantara Jr., P., Guidoni, L., Barsella, A., Fioretti, A., Arimondo, E., (1995) J. Opt. Soc. Am. B, 12, p. 1326. , and references cited thereinLiu, Y., Rios Leite, J.R., (1992) Opt. Commun., 88, p. 391Liu, Y., Rios Leite, J.R., (1994) Phys. Lett. A, 191, p. 134Sugawara, T., Tachikawa, M., Tsukamoto, T., Shimizu, T., (1994) Phys. Rev. Lett., 72, p. 3502Liu, Y., De Oliveira, P.C., Danailov, M.B., Rios Leite, J.R., (1994) Phys. Rev. A, 50, p. 3464Bobin, B., Borde, Ch.J., Borde, J., Breant, Ch., (1987) J. Mol. Spectrosc., 121, p. 91Di Lorenzo-Filho, O., De Oliveira, P.C., Rios Leite, J.R., (1991) Opt. Lett., 16, p. 1768Witteman, W.J., (1987) The CO2 Laser, , Springer-Verlag, New YorkDangoisse, D., Glorieux, P., Hennequin, D., (1990) Phys. Rev. A, 42, p. 1551Grassberger, P., Procaccia, I., (1983) Phys. Rev. Lett., 50, p. 346Lefranc, M., Hennequin, D., Glorieux, P., (1992) Phys. Lett. A, 163, p. 26

    Ab Initio Studies Of Indium Separated Phases In Algainn Quaternary Alloys

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    In this work, ab initio total energy electronic structure calculations are combined with Monte Carlo simulations to study microscopically the indium separated phases taking place in Al xGa yIn 1-x-yN quaternary alloys. The presence of aluminum in the InGaN alloy is shown to enhance the phase separation process, compared to the InGaN ternary alloy with the same In compositions. We also observe that even in the stable region of the quaternay alloy there are composition fluctuations towards InGaN- and AlGaN-like alloys formation. From our findings the origin of the emissions which have been observed from AlGaInN quaternary is discussed. © 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.2725082511Nakamura, S., Fasol, G., (1997) The Blue Laser Diode, , Springer, BerlinAmbacher, O., (1998) J. Phys. D: Appl. Phys., 31, p. 2653Pearton, S.J., Zolper, J.C., Shul, R.J., Ren, F., (1999) J. Appl. Phys., 86, p. 1Kung, P., Razegui, M., (2000) Opto-electronics Rev., 8, p. 201Takayama, T., Yuri, M., Itoh, K., Harris Jr., J.S., (2001) J. Appl. Phys., 90, p. 2358Marques, M., Teles, L.K., Ferreira, L.G., Scolfaro, L.M.R., Leite, J.R., Phys. Rev. B, , in pressTeles, 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. 4274Teles, L.K., Ferreira, L.G., Scolfaro, L.M.R., Leite, J.R., (2004) Phys. Rev. B, 69, p. 245317M. Marques, L. K. Teles, L. G. Ferreira, L. M. R. Scolfaro, and J. R. Leite, unpublishedKresse, G., Furthmüller, J., (1996) Comput. Mat. 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. 890Metropolis, N., Rosenbluth, A.W., Rosenbluth, M.N., Teller, A.H., Teller, E., (1953) J. Chem. Phys., 21, p. 1087Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Furthmüller, J., Bechstedt, F., (2002) J. Appl. Phys., 92, p. 7109Feng, 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. 1377Chen, 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. 148

    Phase Separation And Ordering In Cubic Ternary And Quaternary Nitride Alloys

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    This chapter is designed to study phase separation and order in cubic ternary and quaternary nitride alloys. It reviews the recent developments achieved in the study of group-III nitride alloys, focusing on the thermodynamic properties of the ternaries AlGaN, InGaN, InAlN, BGaN, BAlN, as well as the quaternary AlGaInN alloys in their cubic (zinc blende) phase. The properties of the alloys have been studied by means of ab initio total energy and electronic structure calculations, combined with cluster expansion (CE) methods, for the treatment of disorder and composition effects, either within a generalized quasi-chemical approach (GQCA) or using the Monte Carlo (MC) simulations. This chapter discusses the results of the calculations for InGaN with focus on the origin of the light emission process in the InGaN-based optoelectronic devices through a comparison with recent high resolution X-ray and Raman spectroscopy measurements. © 2005 Elsevier B.V. All rights reserved.455478Nakamura, S., Fasol, G., (1997) The Blue Laser Diode-GaN based Light Emitters and Lasers, , Springer, BerlinNakamura, S., (1999) Semicond. Sci. Technol., 14 R, p. 27Kung, P., Razegui, M., (2000) Opto-electron. Rev., 8, p. 201Ambacher, O., (1998) J. Phys. D: Appl. Phys., 31, p. 2653Pearton, S.J., Zolper, J.C., Shul, R.J., Ren, F., (1999) J. Appl. Phys., 86, p. 1Orton, J.W., Foxon, C.T., (1998) Rep. Prog. Phys., 61, p. 1Pearton, S.J., Zolper, J.C., Shul, R.J., Ren, F., (1999) J. Appl. Phys.: Appl. Phys. Rev., 86, p. 1Lischka, K., (2001) J. Cryst. Growth, 231, p. 415As, D.J., Schikora, D., Lischka, K., (2003) Phys. Stat. Sol. (c), 0, p. 1607. , Conferences and Critical Reviews-special issueChichibu, 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. 298Yang, H., Zheng, L.X., Li, J.B., Wang, X.J., Xu, D.P., Wang, Y.T., Hu, X.W., Han, P.D., (1999) Appl. Phys. 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    Microscopic Description Of The Phase Separation Process In Al Xgayin1-x-yn Quaternary Alloys

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    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

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

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    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. 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    Band-edge Modifications Due To Photogenerated Carriers In Single P-type δ-doped Gaas Layers

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    The photogenerated carrier-induced band-edge modifications of beryllium single δ-doped GaAs layers comprising a two-dimensional hole gas (2DHG) were investigated by means of photoluminescence, selective photoluminescence, and photoluminescence excitation spectroscopies. The results show direct evidence for a photoinduced electron confinement effect, which strongly enhances the radiative-recombination probability between electrons and holes of the 2DHG at low temperatures. © 1999 The American Physical Society.59746344637Schubert, E.F., (1994) Epitaxial Microstructures, 40, p. 1. , edited by A. C. Gossard, Semiconductors and Semimetals Academic, New YorkEnderlein, R., Sipahi, G.M., Scolfaro, L.M.R., Leite, J.R., Diaz, I.F.L., (1994) Mater. Sci. Eng., B, 35, p. 396Sipahi, G.M., Enderlein, R., Scolfaro, L.M.R., Leite, J.R., (1996) Phys. Rev. B, 53, p. 9930Buyanova, I.A., Chen, W.M., Henry, A., Ni, W.-X., Hansson, G.V., Monemar, B., (1996) Phys. Rev. B, 53, p. 9587Sipahi, G.M., Enderlein, R., Scolfaro, L.M.R., Leite, J.R., Da Silva, E.C.F., Levine, A., (1998) Phys. Rev. B, 57, p. 9168Gilinsky, A.M., Zhuravlev, K.S., Lubyshev, D.I., Migal, V.P., Preobrashenskii, V.V., Semiagin, B.R., (1991) Superlattices Microstruct., 10, p. 399Estimated from Hall measurements on molecular beam epitaxy grown bulk GaAsAshen, D.J., Dean, P.J., Hurle, D.T.J., Mullin, J.B., White, A.M., Greene, P.D., (1975) J. Phys. Chem. Solids, 36, p. 1041Richards, D., Wagner, J., Schneider, H., Hendorfer, G., Maier, M., Fischer, A., Ploog, K., (1993) Phys. Rev. B, 47, p. 962

    Raman Scattering Study Of Zincblende Inxga1-xn Alloys

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    We report on first-order micro-Raman and resonant micro-Raman scattering measurements on c-InxGa1-xN (0 ≤ x ≤ 0.31) epitaxial layers. We have found that both, the transverse-optical (TO) and longitudinal-optical (LO) phonons of InxGa1-xN alloy exhibit a one-mode-type behavior. Their frequencies at Γ lie on straight lines connecting the corresponding values obtained for the c-GaN and c-InN binary compounds. Evidence for phase separation is shown in the sample with the alloy composition x = 0.31. The Raman spectra, with excitation energy close to 2.4 eV, show an enhanced additional peak, with frequency between the values found for the LO and TO phonon modes of the C-In0.31Ga0.69N epitaxial layer. We ascribed this peak to the LO phonon mode of a minority phase with In content of ≈0.80.2161769774Tabata, A., Lima, A.P., Teles, L.K., Scolfaro, L.M.R., Leite, J.R., Lemos, V., Schöttker, B., Lischka, K., (1999) Appl. Phys. Lett., 74, p. 362Tabata, A., Leite, J.R., Lima, A.P., Silveira, E., Lemos, V., Schöttker, B., Frey, T., Lischka, K., (1999) Appl. Phys. Lett., 75, p. 1095Tabata, A., Enderlein, R., Leite, J.R., Da Silva, S.W., Galzerani, J.C., Schikora, D., Kloidt, M., Lischka, K., (1996) J. Appl. Phys., 79, p. 4137Chang, I.F., Mitra, S.S., (1968) Phys. Rev., 172, p. 924Bechstedt, F., Grille, H., (1999) Phys. Stat. Sol. (B), 216, p. 761Harima, H., Inoue, T., Nakashima, S., Okumura, H., Ishida, Y., Yoshida, S., Koizumi, T., Bechstedt, F., (1999) Appl. Phys. Lett., 74, p. 191Wakahara, A., Tokuda, T., Dang, X.Z., Noda, S., Sasaki, A., (1997) Appl. Phys. Lett., 71, p. 906Ho, I.H., Stringfellow, G., (1996) Appl. Phys. Lett., 69, p. 270

    Going Beyond Counting First Authors in Author Co-citation Analysis

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    The present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
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