Publications

1996
Kaxiras E, Kandel D. Theory of surfactant-mediated growth on semiconductor surfaces. Applied Surface Science. 1996;102 :3.
1995
Y. Wang, Hamers RJ, Kaxiras E. Atomic structure and bonding of boron-induced reconstructions on Si(001). Phys. Rev. Lett. 1995;74 :403.
Kaxiras E. Atomic structure of surfactant monolayers and its role in epitaxial growth. Mat. Sci. and Engin. B. 1995;30 :175.
Kaxiras E, Broughton J. Electronic states and charge transfer mechanisms in solid molecular hydrogen. Computational Materials Science. 1995;3 :368.
Zangwill A, Kaxiras E. Submonolayer island growth with adatom exchange. Surface Science Lett. 1995;326.
Zeger L, Juan Y, Kaxiras E, Antonelli A. Theoretical study of cubic structures based on fullerene carbon clusters: C28-Cand (C28)2. Phys. Rev. B. 1995;52 :2125.
Juan Y, Kaxiras E, Gordon R. Use of the Generalized Gradient Approximation in pseudopotential calculations of solids. Phys. Rev. B. 1995;51 :9521.
Lim H, Cho K, Park I, Joannopoulos JD, Kaxiras E. Ab initio study of hydrogen adsorption on the Si(111)-(7 x 7) surface. Phys. Rev. B. 1995;52 :17231.
Kandel D, Kaxiras E. Surfactant mediated crystal growth of semiconductors. Phys. Rev. Lett. 1995;75 :2742.
1994
Kaxiras E, Erlebacher J. Adatom diffusion by orchestrated exchange on semiconductor surfaces. Phys. Rev. Lett. 1994;72 :1714.
Kaxiras E, Zeger L, Antonelli A, Juan Y. Electronic properties of a cluster-based solid form of carbon: C28 hyperdiamond. Phys. Rev. B. 1994;49 :8446.
Kaxiras E, Guo Z. Orientational order in dense molecular hydrogen: A first principles path integral Monte Carlo calculation. Phys. Rev. B. 1994;49 :11822.
Jackson K, Kaxiras E, Pederson MR. Bonding of endohedral atoms in small carbon fullerenes. J. Phys. Chem. 1994;98 :7805.
Kaxiras E, Boyer LL. Energetics of large lattice strains: Application to silicon. Phys.Rev. B. 1994;50 :1535.
Mizushima K, Yip S, Kaxiras E. Ideal crystal stability and pressure-induced phase transition in silicon. Phys. Rev. B. 1994;50 :14952.
Kaxiras E, Jackson K, Pederson MR. Theoretical study of passivated small fullerenes C24-X4 (X = N, P, As) and theirisoelectronic equivalents (BN)12-X4. Chem.Phys. Lett. 1994;255 :448.
1993
Kaxiras E, Pandey KC. Contribution of concerted exchange to the entropy of self-diffusion in Si. Phys. Rev. B. 1993;47 :1659.
Kaxiras E. Interplay of strain and chemical bonding in surfactant monolayers. Europhys. Lett. 1993;21 :685.
Zeger L, Kaxiras E. A new model for icosahedral carbon clusters and the structure of collapsed fullerite. Phys. Rev. Lett. 1993;70 :2920.
Bedrossian P, Kaxiras E. Symmetry and stability of solitary dimer rows on Si(100). Phys. Rev.Lett. 1993;70 :2589.

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