activity
20042017
most citedSample dependence of the structural, vibrational, and electronic properties of a-Si:H: A density-functional-based tight-binding study

23 citations · 63 across the 5 of their papers we have counts for

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cond-mat.mtrl-sci2017

Nuclear Quantum Effects Induce Metallization of Dense Solid Molecular Hydrogen

Sam Azadi, Ranber Singh, T. D. Kühne

We present an accurate computational study of the electronic structure and lattice dynamics of solid molecular hydrogen at high pressure. The band-gap energies of the , ,…

cond-mat.mtrl-sci2013★ 20 cited

Anhamonic finite temperature effects on the Raman and Infrared spectra to determine the crystal structure phase III of solid molecular hydrogen

Ranber Singh, Sam Azadi, Thomas D. Kühne

We present theoretical calculations of the Raman and IR spectra, as well as electronic properties at zero and finite temperature to elucidate the crystal structure of phase III of…