Prediction of new stable crystal structures for ternary ErAgTe2

Crystal structure prediction at finite temperatures

Crystal structure prediction – Tuckerman Research Group

Frequency dependent (a) absorption coefficient, (b) optical

Calculated defect formation enthalpies D H d,q in trigonal Tm oh Ag oh

COPEX: co-evolutionary crystal structure prediction algorithm for complex systems

Predicting Band Gaps with Hybrid Density Functionals

colour online) The crystal structure view of TiAsTe.

Electronic band structure for (a) In 2 Ge 2 Te 6 , (b) InGeTe 3 , (c)

PDF) Strong Elastic Anisotropy of Low-Dimensional Ternary Compounds: InXTe3 (X = Si, Ge)

Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases

Electrochemical studies of halide perovskite and its correlation for photocatalytic applications - ScienceDirect