Low-temperature polymorphs of ZrO2 and HfO2 : A density-functional theory study von JIFFE, John E, BACHORZ, Rafał A, GUTOWSKI, Maciej

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Oxygen vacancies and ferromagnetism in CoxTi1−xO2−x−y von Jaffe, John E., Droubay, Timothy C., Chambers, Scott A.

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Thermodynamic stability of high- K dielectric metal oxides ZrO2 and HfO2 in contact with Si and SiO2 von Gutowski, Maciej, Jaffe, John E., Liu, Chun-Li, Stoker, Matt, Hegde, Rama I., Rai, Raghaw S., Tobin, Philip J.

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Nanoscale effects on ion conductance of layer-by-layer structures of gadolinia-doped ceria and zirconia von Azad, S., Marina, O. A., Wang, C. M., Saraf, L., Shutthanandan, V., McCready, D. E., El-Azab, A., Jaffe, J. E., Engelhard, M. H., Peden, C. H. F., Thevuthasan, S.

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Computational study of Ge and Sn doping of CdTe von Jaffe, John E.

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Defect-induced nonpolar-to-polar transition at the surface of CuInSe2 von Jaffe, John E., Zunger, Alex

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Plastic ingestion in an emaciated red kite (Milvus milvus) in England von Gerard, G, Common, SM, Jaffe, JE, Shadbolt, T, Sainsbury, AW

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LDA and GGA calculations for high-pressure phase transitions in ZnO and MgO von Jaffe, John E., Snyder, James A., Lin, Zijing, Hess, Anthony C.

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Gaussian basis density functional theory for systems periodic in two or three dimensions: Energy and forces von Jaffe, John E., Hess, Anthony C.

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Periodic Density Functional LDA and GGA Study of CO Adsorption at the (001) Surface of MgO von Snyder, James A, Alfonso, Dominic R, Jaffe, John E, Lin, Zijing, Hess, Anthony C, Gutowski, Maciej

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Gaussian-basis LDA and GGA calculations for alkali-metal equations of state von Jaffe, John E., Lin, Zijing, Hess, Anthony C.

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Defect-induced nonpolar-to-polar transition at the surface of chalcopyrite semiconductors von Jaffe, John, Zunger, Alex

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LDA and GGA calculations of alkali metal adsorption at the (001) surface of MgO von Snyder, James A., Jaffe, John E., Gutowski, Maciej, Lin, Zijing, Hess, Anthony C.

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Ab initio study of high pressure phase transition in GaN von Pandey, Ravindra, Jaffe, John E, Harrison, Nicholas M

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High-coverage adsorption of alkali metals at the CaO and MgO (100) surfaces von Alfonso, Dominic R, Jaffe, John E, Hess, Anthony C, Gutowski, Maciej

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Multicenter Integration Scheme for Electronic Structure Calculations of Periodic and Nonperiodic Polyatomic Systems von Lin, Zijing, Jaffe, John E, Hess, Anthony C

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Adsorption of CO on MgO supported alkali monolayers: a periodic density functional local density approximation and generalized gradient approximation study von Snyder, James A., Jaffe, John E., Lin, Zijing, Hess, Anthony C., Gutowski, Maciej

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Comparison of embedded-atom models and first-principles calculations for Al phase equilibrium von Jaffe, John E, Kurtz, Richard J, Gutowski, Maciej

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Structural Origin of Optical Bowing in Semiconductor Alloys von Zunger, Alex, Jaffe, J. E.

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Theory of the band-gap anomaly in ABC2 chalcopyrite semiconductors von JAFFE, J. E, ZUNGER, A

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