106 citations · 311 across the 11 of their papers we have counts for
11 papers
Phase Diagram of Carbon Nickel Tungsten: Superatom Model
Sanxi Yao, Qin Gao, Michael Widom +2
Carbon solubility in face-centered cubic Ni-W alloys and the phase diagram of C-Ni-W are investigated by means of first principle calculations and semi-grand canonical Monte Carlo…
Phase Diagram of Boron Carbide With Variable Carbon Composition
Sanxi Yao, Qin Gao, Michael Widom
Boron carbide exhibits intrinsic substitutional disorder over a broad composition range. The structure consists of 12-atom icosahedra placed at the vertices of a rhombohedral latti…
Characterization of hexagonal boron nitride layers on nickel surfaces by low-energy electron microscopy
P. C. Mende, Q. Gao, A. Ismach +5
The thickness and interfacial geometry of hexagonal boron nitride (hBN) films grown by chemical vapor deposition on polycrystalline nickel foils is studied using low-energy electro…
Thickness characterization of atomically-thin WSe on epitaxial graphene by low-energy electron reflectivity oscillations
Sergio C. de la Barrera, Yu-Chuan Lin, Sarah M. Eichfeld +4
In this work, low-energy electron microscopy is employed to probe structural as well as electronic information in few-layer WSe on epitaxial graphene on SiC. The emergence of u…
Machine Learning methods for interatomic potentials: application to boron carbide
Qin Gao, Sanxi Yao, Jeff Schneider +1
Total energies of crystal structures can be calculated to high precision using quantum-based density functional theory (DFT) methods, but the calculations can be time consuming and…
Inelastic Effects in Low-Energy Electron Reflectivity of Two-dimensional Materials
Qin Gao, P. C. Mende, M. Widom +1
A simple method is proposed for inclusion of inelastic effects (electron absorption) in computations of low-energy electron reflectivity (LEER) spectra. The theoretical spectra are…
Phase Transitions of Boron Carbide: Pair Interaction Model of High Carbon Limit
Sanxi Yao, W. P. Huhn, M. Widom
Boron Carbide exhibits a broad composition range, implying a degree of intrinsic substitutional disorder. While the observed phase has rhombohedral symmetry (space group R3(bar)m),…
Theory of Graphene-Insulator-Graphene Tunnel Junctions
S. C. de la Barrera, Qin Gao, R. M. Feenstra
Graphene-insulator-graphene vertical tunneling structures are discussed from a theoretical perspective. Momentum conservation in such devices leads to highly nonlinear current-volt…
First Principles Study of Bismuth Films on the Nickel(111) Surface
Qin Gao, Michael Widom
A recent experiment(Bollmann11) suggested that bismuth forms hexagonal close packed (HCP) films on the Ni(111) surface, of heights 3, 5 and 7 layers. A quantum size effect based on…
Low-Energy Electron Reflectivity of Graphene on Copper and other Substrates
N. Srivastava, Qin Gao, M. Widom +4
The reflectivity of low energy electrons from graphene on copper substrates is studied both experimentally and theoretically. Well-known oscillations in the reflectivity of electro…
Low-energy Electron Reflectivity from Graphene
R. M. Feenstra, N. Srivastava, Qin Gao +6
Low-energy reflectivity of electrons from single- and multi-layer graphene is examined both theoretically and experimentally. A series of minima in the reflectivity over the energy…