activity
19942016
most citedTotal-energy-based prediction of a quasicrystal structure

84 citations · 264 across the 11 of their papers we have counts for

collaborators

11 papers

cond-mat.mes-hall2016★ 24 cited

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…

cond-mat.mes-hall2014★ 9 cited

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…

cond-mat.mtrl-sci2014★ 26 cited

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),…

cond-mat.mes-hall2013★ 27 cited

First Principles Study of Bismuth Films at Transition Metal Grain Boundaries

Qin Gao, Michael Widom

Recent experiments suggest that Bi impurities segregate to form bilayer films on Ni and Cu grain boundaries but do not segregate in Fe. To explain these phenomena, we study the tot…

cond-mat.soft2001★ 8 cited

Shapes and textures of ferromagnetic liquid droplets

S. Banerjee, M. Widom

Theoretical calculations, computer simulations and experiments indicate the possible existence of a ferromagnetic liquid state. Should such a state exist, demagnetization effects w…

cond-mat2001★ 84 cited

Total-energy-based prediction of a quasicrystal structure

M. Mihalkovič, I. Al-Lehyani, E. Cockayne +5

Quasicrystals are metal alloys whose noncrystallographic symmetry and lack of structural periodicity challenge methods of experimental structure determination. Here we employ quant…