Cormac Toher

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The elastic constant tensor of an inorganic compound provides a complete description of the response of the material to external stresses in the elastic limit. It thus provides fundamental insight into the nature of the bonding in the material, and it is known to correlate with many mechanical properties. Despite the importance of the elastic constant(More)
Keywords: High-throughput Materials genomics AFLOWLIB VASP a b s t r a c t The Automatic-Flow (AFLOW) standard for the high-throughput construction of materials science electronic structure databases is described. Electronic structure calculations of solid state materials depend on a large number of parameters which must be understood by researchers, and(More)
The continued advancement of science depends on shared and reproducible data. In the field of computational materials science and rational materials design this entails the construction of large open databases of materials properties. To this end, an Application Program Interface (API) following REST principles is introduced for the AFLOWLIB.org materials(More)
Metallic glasses attract considerable interest due to their unique combination of superb properties and processability. Predicting their formation from known alloy parameters remains the major hindrance to the discovery of new systems. Here, we propose a descriptor based on the heuristics that structural and energetic 'confusion' obstructs crystalline(More)
The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. 1 The elastic constant tensor of an inorganic compound provides a complete description of the response of the material to external stresses in the elastic limit. It thus provides fundamental insight into the nature of the bonding in the(More)
The quantum dynamics of electrons in bulk states is investigated by scanning tunneling microscopy and spectroscopy on a Ag(100) surface. By measuring conductance maps above a threshold voltage, we observe standing waves at step edges and defects. We interpret these to originate from electrons in a bulk band edge at the point. From the spatially decaying(More)
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