Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- California Institute of TechnologyUS2.6k papers
- Centre National de la Recherche ScientifiqueFR2k papers
- Massachusetts Institute of TechnologyUS1.9k papers
- University of FloridaUS1.8k papers
- Carnegie Mellon UniversityUS1.7k papers
- Princeton UniversityUS1.7k papers
- University of RochesterUS1.7k papers
- Purdue University West LafayetteUS1.6k papers
- Johns Hopkins UniversityUS1.6k papers
- University of Maryland, College ParkUS1.6k papers
- The Ohio State UniversityUS1.6k papers
- University of California, Santa BarbaraUS1.6k papers
9 papers · 2 filters
Ab initio study of magnetic structure and chemical reactivity of Cr2O3 and its (0001) surface
J. A. Cline, A. A. Rigos, T. A. Arias
We present the first ab initio density functional theory study of the oxygen-terminated Cr2O3 (0001) surface within the local spin-density approximation (LSDA). We find that spin p…
New Algebraic Formulation of Density Functional Calculation
Sohrab Ismail-Beigi, T. A. Arias
This article addresses a fundamental problem faced by the ab initio community: the lack of an effective formalism for the rapid exploration and exchange of new methods. To rectify…
Ab Initio Study of Screw Dislocations in Mo and Ta: A new picture of plasticity in bcc transition metals
Sohrab Ismail-Beigi, T. A. Arias
We report the first ab initio density-functional study of <111> screw dislocations cores in the bcc transition metals Mo and Ta. Our results suggest a new picture of bcc plasticity…
Evidence for charge localization in the ferromagnetic phase of La_(1-x)Ca_(x)MnO_3 from High real-space-resolution x-ray diffraction
S. J. L. Billinge, Th. Proffen, V. Petkov +2
High real-space-resolution atomic pair distribution functions of La_(1-x)Ca_(x)MnO_3 (x=0.12, 0.25 and 0.33) have been measured using high-energy x-ray powder diffraction to study…
Nonlinear Measures for Characterizing Rough Surface Morphologies
J. Kondev, C. L. Henley, D. G. Salinas
We develop a new approach to characterizing the morphology of rough surfaces based on the analysis of the scaling properties of contour loops, i.e. loops of constant height. Given…
High real-space resolution measurement of the local structure of Ga_1-xIn_xAs using x-ray diffraction
V. Petkov, I-K. Jeong, J. S. Chung +3
High real-space resolution atomic pair distribution functions (PDF)s from the alloy series Ga_1-xIn_xAs have been obtained using high-energy x-ray diffraction. The first peak in th…
Molecular weight effects on chain pull-out fracture of reinforced polymeric interfaces
Mohsen Sabouri-Ghomi, Slava Ispolatov, Martin Grant
Using Brownian dynamics, we simulate the fracture of polymer interfaces reinforced by diblock connector chains. We find that for short chains the interface fracture toughness depen…
Extending Linear Response: Inferences from Electron-Ion Structure Factors
A. A. Louis, N. W. Ashcroft
Linear response methods applied to electron systems often display a level of accuracy which is notable when viewed in terms of the strengths of perturbing interactions. Neglect of…
Electron-Ion Structure Factors and the General Accuracy of Linear Response
A. A. Louis, N. W. Ashcroft
We show that electron-ion structure factors in fluid metallic systems can be well understood from an application of linear response in the electron system, combined with hard-spher…