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Alex Zunger
Researcher at University of Colorado Boulder
Publications - 838
Citations - 85746
Alex Zunger is an academic researcher from University of Colorado Boulder. The author has contributed to research in topics: Band gap & Electronic structure. The author has an hindex of 128, co-authored 826 publications receiving 78798 citations. Previous affiliations of Alex Zunger include Tel Aviv University & University of Wisconsin-Madison.
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Density-functional theory of the correlation energy in atoms and ions: A simple analytic model and a challenge
TL;DR: In this paper, a simple and accurate analytic model is derived for the correlation energy of any atom or ion within three density functional approximations based on the uniform electron gas: the local-spin density approximation (LSD), the selfinteraction corrected (SIC) version of LSD, and the antiparallel-spin LSD of Stoll et al.
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Defect-induced nonpolar-to-polar transition at the surface of chalcopyrite semiconductors
John E. Jaffe,Alex Zunger +1 more
TL;DR: In this paper, the defect-induced reconstructions make the (112)-cation plus $(1/ifmmode\bar\else\textasciimacron\fi{}1\ifmmodes\bar/else\ textasciima-conc rn\fa{}2\ifmodesode ǫ-bar/ǫǫ n−n−n −n−1.
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Sorting Stable versus Unstable Hypothetical Compounds: The Case of Multi-Functional ABX Half-Heusler Filled Tetrahedral Structures
TL;DR: In this article, the authors focus on the family of 1:1:1 compounds ABX called "half-heusler structure" called "fi lled tetrahedral structure" (sometimes called Half-Heusler) in the four groups with octet electron count.
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Examining Förster Energy Transfer for Semiconductor Nanocrystalline Quantum Dot Donors and Acceptors
TL;DR: In this article, the authors proposed an approach for energy transfer involving semiconductor quantum dots (QDs) in order to exploit their properties, such as high photostability and size-tunable optical properties.
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Polymorphous band structure model of gapping in the antiferromagnetic and paramagnetic phases of the Mott insulators MnO, FeO, CoO, and NiO
TL;DR: In this paper, the authors studied the properties of spin-disordered Mott insulators and showed that such a polymorphous description of the structure within the single-determinant, mean-field, Bloch periodic band structure approach allows large on-site magnetic moments to develop spontaneously.