@article{xiang_kan_zhang_whangbo_gong_2011, title={General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order}, volume={107}, ISSN={["0031-9007"]}, DOI={10.1103/physrevlett.107.157202}, abstractNote={The ferroelectric polarization of triangular-lattice antiferromagnets induced by helical spin-spiral order is not explained by any existing model of magnetic-order-driven ferroelectricity. We resolve this problem by developing a general theory for the ferroelectric polarization induced by spin-spiral order and then by evaluating the coefficients needed to specify the general theory on the basis of density functional calculations. Our theory correctly describes the ferroelectricity of triangular-lattice antiferromagnets driven by helical spin-spiral order and incorporates known models of magnetic-order-driven ferroelectricity as special cases.}, number={15}, journal={PHYSICAL REVIEW LETTERS}, author={Xiang, H. J. and Kan, E. J. and Zhang, Y. and Whangbo, M. -H. and Gong, X. G.}, year={2011}, month={Oct} } @article{comins_schilling_zhang_2005, title={Asymmetric synthesis of 3-substituted isoindolinones: Application to the total synthesis of (+)-lennoxamine}, volume={7}, ISSN={["1523-7060"]}, DOI={10.1021/ol047824w}, abstractNote={An anionic chiral auxiliary mediated asymmetric alkylation of carbamate 2 provides 3-substituted isoindolinones 4 in high ee. This methodology was used in the first asymmetric synthesis of (+)-lennoxamine.}, number={1}, journal={ORGANIC LETTERS}, author={Comins, DL and Schilling, S and Zhang, YC}, year={2005}, month={Jan}, pages={95–98} } @article{whitten_zhang_menon_lucovsky_2002, title={Electronic structure of SiO2: Charge redistribution contributions to the dynamic dipoles/effective charges of the infrared active normal modes}, volume={20}, number={4}, journal={Journal of Vacuum Science & Technology. B, Microelectronics and Nanometer Structures}, author={Whitten, J. L. and Zhang, Y. and Menon, M. and Lucovsky, G.}, year={2002}, pages={1710–1719} } @article{lucovsky_whitten_zhang_2001, title={A molecular orbital model for the electronic structure of transition metal atoms in silicate and aluminate alloys}, volume={59}, ISSN={["1873-5568"]}, DOI={10.1016/S0167-9317(01)00653-0}, abstractNote={This paper develops a molecular orbital, MO, model that demonstrates that the electronic structure of non-crystalline oxide dielectrics depends primarily on (i) the coordination and symmetry of transition metal atoms and (ii) the orbital energies of their oxygen neighbors. The calculations indicate that the anti-bonding d-states which determine the minimum energy gap and the conduction band offset energy with respect to Si are a local property of the transition metal–oxygen bonding and are insensitive to second neighbor alloy atoms such as Si or Al.}, number={1-4}, journal={MICROELECTRONIC ENGINEERING}, author={Lucovsky, G and Whitten, JL and Zhang, Y}, year={2001}, month={Nov}, pages={329–334} } @article{zhang_warren_haushalter_clearfield_seo_whangbo_1998, title={Comparative study of the structural, electronic, and magnetic properties of the layered ternary vanadium oxides CaV4O9, Cs2V4O9, and [H2N(CH2)(4)NH2]V4O9}, volume={10}, ISSN={["0897-4756"]}, DOI={10.1021/cm970653n}, abstractNote={We report the preparation, single-crystal X-ray structure determination, and magnetic susceptibility measurements of a new ternary vanadium oxide, [H2N(CH2)4NH2]V4O9. This compound has isolated V4O92- layers made up of edge-sharing VO5 square pyramids. The V4O92- layers of [H2N(CH2)4NH2]V4O9 ([H2N(CH2)4NH2] = piperidinium) differ from those of two other ternary vanadium oxides, CaV4O9 and A2V4O9 (A = Rb, Cs), in the way the VO5 square pyramids are shared, and the magnetic susceptibilities of the three oxides are widely different in their maximum susceptibility values and the temperatures where these values occur. To explain these observations, the electronic structures of the three oxides were analyzed based on molecular orbital calculations.}, number={4}, journal={CHEMISTRY OF MATERIALS}, author={Zhang, YP and Warren, CJ and Haushalter, RC and Clearfield, A and Seo, DK and Whangbo, MH}, year={1998}, month={Apr}, pages={1059–1064} }