Publications

1993
Kaxiras E, Jackson K, Z. Structural models for intermediate-sized Si clusters. Phys. D. 1993;26 :346.
1992
Kaxiras E, Broughton JQ. Energetics of ordered structures in molecular hydrogen. Europhys.Lett. 1992;17 :151.
Kaxiras E, Boyer LL. Exploring the structure of solids through magic strains: prediction of a new metallic phase of Si. Modeling and Simulation in Materials Science and Engineering. 1992;1 :91.
Kaxiras E, Wang OLAJ, Joannopoulos JD. Theoretical modeling of heteroepitaxial growth initiation. Mat. Sci. and Engin. B. 1992;14 :245.
1991
Pandey KC, Kaxiras E. Entropy calculation beyond the harmonic approximation: application to diffusion by concerted exchange in Si. Phys. Rev. Lett. 1991;66 :915.
Wang OLAJ, Joannopoulos JD, Kaxiras E. Growth of GaAs overlayers on vicinal Si(100) surfaces. J. Vac. Sci. Technol. 1991;A9 :2423.
Kaxiras E. Kaxiras replies (to Comment on structure of Si clusters). Phys. Rev. Lett. 1991;66 :2687.
Boyer LL, Kaxiras E, Feldman JL, Broughton JQ, Mehl MJ. A new low-energy crystal structure for silicon. Phys. Rev. Lett. 1991;67 :715.
Kaxiras E. Semiconductor surface restoration by valence mending adsorbates: application to Si(111):S and Se. Phys. Rev. B. 1991;43 :6824.
Wang OLAJ, Joannopoulos JD, Kaxiras E, Becker RS. Adsorption of As on stepped Si(100): resolution of the sublattice-orientation dilemma. Phys. Rev. B. 1991;44 :6534.
Feldman JL, Kaxiras E, Li X-P. Localized adatom vibrations in Si clusters. Phys. Rev.B. 1991;44 :8334.
Kaxiras E, Broughton JQ, R.J.Hemley. Onset of metallization and related transitions in solid hydrogen. Phys. Rev. Lett. 1991;67 :1138.
1990
Avouris P, Lyo I-W, Boszo F, Kaxiras E. Adsorption of boron on Si(111): physics, chemistry, and atomic-scale electronic devices. J. Vac. Sci. Technol. 1990;A8 :3405.
Kaxiras E. Effect of surface reconstruction on stability and reactivity of Si clusters. Phys. Rev. Lett. 1990;64 :551.
Rappe AM, Rabe KM, Kaxiras E, poulos JDJ-. Optimized pseudopotentials. Phys.Rev. B. 1990;41 :1227.
Kaxiras E, J.D.Joannopoulos OLA, Turner GW. Thermodynamic and kinetic aspects of GaAs growth on Si(100). Superlattices and Microstructures. 1990;8 :229.
Kaxiras E, Pandey KC, Himpsel FJ, Tromp RM. Electronic states due to surface doping: Si(111)√3×√3-B. Phys. Rev. B. 1990;41 :1262–1265.
M\aartensson P, Meyer G, Amer NM, Kaxiras E, Pandey KC. Evidence for trimer reconstruction of Si(111) √3×√3 -Sb: Scanning tunneling microscopy and first-principles theory. Phys. Rev. B. 1990;42 :7230–7233.

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