68 citations · 206 across the 8 of their papers we have counts for
4 papers · 1 filter
Structure and charge transport of amorphous -doped : An ab initio study
Rajendra Thapa, Bishal Bhattarai, M. N. Kozicki +2
In this paper, we present ab initio computer models of Cu-doped amorphous Ta2O5 , a promising candidate for Conducting Bridge Random Access Memory (CBRAM) memory devices, and study…
Ab initio inversion of structure and the lattice dynamics of a metallic glass: The case of Pd40Ni40P20
Bishal Bhattarai, Rajendra Thapa, David A. Drabold
In this paper we infer the structure of Pd40Ni40P20 from experimental diffraction data and ab initio interactions using Force Enhanced Atomic Refinement (FEAR). Our model accuratel…
Quantifying Chemical Structure and Atomic Energies in Amorphous Silicon Networks
Noam Bernstein, Bishal Bhattarai, Gábor Csányi +3
Amorphous materials are coming within reach of realistic computer simulations, but new approaches are needed to fully understand their intricate atomic structures. Here, we show ho…
Realistic inversion of diffraction data for an amorphous solid: the case of amorphous silicon
Anup Pandey, Parthapratim Biswas, Bishal Bhattarai +1
We apply a new method "force enhanced atomic refinement" (FEAR) to create a computer model of amorphous silicon (a-Si), based upon the highly precise X-ray diffraction experiments…