Energetics of steps and kinks on Ag and Pt using equivalent crystal theory (ECT)KHARE, S. V; EINSTEIN, T. L.Surface science. 1994, Vol 314, Num 1, pp L857-L865, issn 0039-6028Article

Diffusion of Te vacancy and interstitials of Te, Cl, O, S, P and Sb in CdTe: A density functional theory studyROEHL, J. L; KHARE, S. V.Solar energy materials and solar cells. 2014, Vol 128, pp 343-350, issn 0927-0248, 8 p.Article

First-principles investigation of the structural, mechanical and electronic properties of the NbO-structured 3d, 4d and 5d transition metal nitridesLIU, Z. T. Y; ZHOU, X; GALL, D et al.Computational materials science. 2014, Vol 84, pp 365-373, issn 0927-0256, 9 p.Article

Diffusion of a Ga adatom on the GaAs(001)-c(4×4)-heterodimer surface: A first principles studyROEHL, J. L; ARAVELLI, S; KHARE, S. V et al.Surface science. 2012, Vol 606, Num 15-16, pp 1303-1307, issn 0039-6028, 5 p.Article

Dynamics of step doubling : simulations for a simple model and comparison with experimentKHARE, S. V; EINSTEIN, T. L; BARTELT, N. C et al.Surface science. 1995, Vol 339, Num 3, pp 353-362, issn 0039-6028Article

Two-dimensional island dynamics : Role of step energy anisotropyKODAMBAKA, S; KHARE, S. V; PETROV, I et al.Surface science reports. 2005, Vol 60, Num 5, pp 55-77, issn 0167-5729, 23 p.Article

Dislocation-driven surface dynamics on solidsKODAMBAKA, S; KHARE, S. V; SWLECH, W et al.Nature (London). 2004, Vol 429, Num 6987, pp 49-52, issn 0028-0836, 4 p.Article

Structural, energetic and elastic properties of Cu₂ZnSn(S_xSe_{1_x})₄ (x = 1, 0.75, 0.5, 0.25, 0) alloys from first-principles computationsGUNAICHA, P. P; GANGAM, S; ROEHL, J. L et al.Solar energy. 2014, Vol 102, pp 276-281, issn 0038-092X, 6 p.Article

Study of B1 (NaCl-type) to B2 (CsCl-type) pressure-induced structural phase transition in BaS, BaSe and BaTe using ab initio computationsZHOU, X; ROEHL, J. L; LIND, C et al.Journal of physics. Condensed matter (Print). 2013, Vol 25, Num 7, issn 0953-8984, 075401.1-075401.8Article

Structural and electronic properties of β-In₂X₃ (X = O, S, Se, Te) using ab initio calculationsMARSILLAC, S; MANGALE, N. S; GADE, V et al.Thin solid films. 2011, Vol 519, Num 16, pp 5679-5683, issn 0040-6090, 5 p.Article

Absolute orientation-dependent TiN(001) step energies from two-dimensional equilibrium island shape and coarsening measurements on epitaxial TiN(001) layersKODAMBAKA, S; KHARE, S. V; PETROVA, V et al.Surface science. 2002, Vol 513, Num 3, pp 468-474, issn 0039-6028Article