625 citations · 3.8k across the 77 of their papers we have counts for
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Size Effects in Ferroelectric Thin Films: The Role of 180 degree domains
Rajeev Ahluwalia, David J. Srolovitz
The depolarization fields set up to due to uncompensated surface charges in a ferroelectric thin film can suppress the ferroelectric phase below a critical size. Recent experiments…
Grain-boundary grooving and agglomeration of alloy thin films with a slow-diffusing species
Mathieu Bouville, Dongzhi Chi, David J. Srolovitz
We present a general phase-field model for grain-boundary grooving and agglomeration of polycrystalline alloy thin films. In particular, we study the effects of slow-diffusing spec…
First-principles study of wurtzite InN and surfaces
Chee Kwan Gan, David J. Srolovitz
Density-functional calculations are used to study various plausible structures of the wurtzite InN and surfaces. These structures include the unreconstruct…
Solid-Liquid Phase Diagrams for Binary Metallic Alloys: Adjustable Interatomic Potentials
H. -S. Nam, M. I. Mendelev, D. J. Srolovitz
We develop a new approach to determining LJ-EAM potentials for alloys and use these to determine the solid-liquid phase diagrams for binary metallic alloys using Kofke's Gibbs-Duhe…
First-principles calculation of the thermodynamics of InGaN alloys: Effect of lattice vibrations
Chee Kwan Gan, Yuan Ping Feng, David J. Srolovitz
The thermodynamics properties of the wurtzite and zinc-blende \InGaN alloys are calculated using first-principles density-functional calculations. Special quasi-random structures a…
Interplay between grain boundary grooving, stress, and dealloying in the agglomeration of NiSi1-xGex films
H. B. Yao, M. Bouville, D. Z. Chi +4
Germanosilicides, especially those formed on compressive substrates, are less stable than silicides against agglomeration. By studying the solid-state reaction of Ni thin film on s…