@article{https://resolver.caltech.edu/CaltechAUTHORS:20160512-150102472, title = "p-Type Co Interstitial Defects in Thermoelectric Skutterudite CoSb\_3 Due to the Breakage of Sb\_4-Rings", journal = "Chemistry of Materials", url = "https://resolver.caltech.edu/CaltechAUTHORS:20160512-150102472", id = "record", issn = "0897-4756", doi = "10.1021/acs.chemmater.6b00112", volume = "28" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20160624-111709326, title = "Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment", journal = "Journal of Materials Chemistry C", url = "https://resolver.caltech.edu/CaltechAUTHORS:20160624-111709326", id = "record", issn = "2050-7526", doi = "10.1039/C5TC04339E", volume = "4" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20160222-101712009, title = "Calculation of dopant solubilities and phase diagrams of X–Pb–Se (X = Br, Na) limited to defects with localized charge", journal = "Journal of Materials Chemistry C", url = "https://resolver.caltech.edu/CaltechAUTHORS:20160222-101712009", id = "record", issn = "2050-7526", doi = "10.1039/C5TC03970C", volume = "4" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20160208-104632713, title = "YCuTe\_2: a member of a new class of thermoelectric materials with CuTe\_4-based layered structure", journal = "Journal of Materials Chemistry A", url = "https://resolver.caltech.edu/CaltechAUTHORS:20160208-104632713", id = "record", issn = "2050-7488", doi = "10.1039/C5TA10330D", volume = "4" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20151113-075252916, title = "Computational and experimental investigation of TmAgTe\_2 and XYZ\_2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening", journal = "Journal of Materials Chemistry C", url = "https://resolver.caltech.edu/CaltechAUTHORS:20151113-075252916", id = "record", issn = "2050-7526", doi = "10.1039/c5tc01440a", volume = "3" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20150622-083238741, title = "Ab initio study of intrinsic point defects in PbTe: an insight into phase stability", journal = "Acta Materialia", url = "https://resolver.caltech.edu/CaltechAUTHORS:20150622-083238741", id = "record", issn = "1359-6454", doi = "10.1016/j.actamat.2015.03.034", volume = "92" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20150514-124425839, title = "Phase stability in nanoscale material systems: extension from bulk phase diagrams", journal = "Nanoscale", url = "https://resolver.caltech.edu/CaltechAUTHORS:20150514-124425839", id = "record", issn = "2040-3372", doi = "10.1039/c5nr01535a", volume = "7" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20120511-134220017, title = "On the limitations of the DFT+U approach to energetics of actinides", journal = "Computational Materials Science", url = "https://resolver.caltech.edu/CaltechAUTHORS:20120511-134220017", id = "record", issn = "0927-0256", doi = "10.1016/j.commatsci.2012.02.023", volume = "59" }