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.
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.
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.
Juan Y, Kaxiras E. Application of gradient corrections to density functional theory of atoms and solids. Phys. Rev. B. 1993;48 :14944.
Zeger L, Kaxiras E. Compact carbon clusters with tetrahedral bonding and icosahedral symmetry. Computational Materials Science. 1993;1 :403.
Jackson K, Kaxiras E, Pederson MR. Electronic states of group-IV endohedral atoms in C28. Phys. Rev. B. 1993;48 :17556.
Kaxiras E, Duesbery MS. Free-energies of generalized stacking faults in Si and implications for the brittle-ductile transition. Phys. Rev. Lett. 1993;70 :3752.
Juan Y, Kaxiras E. Plastic flow in Si: a first-principles study based on magic strains. Journal of Computer Aided Materials Design. 1993;1 :55.
Kaxiras E, Jackson K. The shape of small Si clusters. Phys. Rev. Lett. 1993;71 :727.