Ferroelectric Domain Wall Induced Band Gap Reduction and Charge Separation in Organometal Halide Perovskites von Liu, Shi, Zheng, Fan, Koocher, Nathan Z, Takenaka, Hiroyuki, Wang, Fenggong, Rappe, Andrew M

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Effect of Octahedral Connectivity on the Negative Thermal Expansion of SrZrS3 von Koocher, Nathan Z., Rondinelli, James M.

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Polarization Dependence of Water Adsorption to CH3NH3PbI3 (001) Surfaces von Koocher, Nathan Z, Saldana-Greco, Diomedes, Wang, Fenggong, Liu, Shi, Rappe, Andrew M

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Synergistically Optimizing Carrier Concentration and Decreasing Sound Velocity in n‑type AgInSe2 Thermoelectrics von Zhu, Yingcai, Liu, Yong, Wood, Max, Koocher, Nathan Z, Liu, Yanyu, Liu, Lijuan, Hu, Tiandou, Rondinelli, James M, Hong, Jiawang, Snyder, G. Jeffrey, Xu, Wei

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Interlayer magnetophononic coupling in MnBi2Te4 von Padmanabhan, Hari, Poore, Maxwell, Kim, Peter K., Koocher, Nathan Z., Stoica, Vladimir A., Puggioni, Danilo, (Hugo) Wang, Huaiyu, Shen, Xiaozhe, Reid, Alexander H., Gu, Mingqiang, Wetherington, Maxwell, Lee, Seng Huat, Schaller, Richard D., Mao, Zhiqiang, Lindenberg, Aaron M., Wang, Xijie, Rondinelli, James M., Averitt, Richard D., Gopalan, Venkatraman

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Structure Dependent Phase Stability and Thermal Expansion of Ruddlesden–Popper Strontium Titanates von Huang, Liang-Feng, Koocher, Nathan Z, Gu, Mingqiang, Rondinelli, James M

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Pb2BO3I: A Borate Iodide with the Largest Second‐Harmonic Generation (SHG) Response in the KBe2BO3F2 (KBBF) Family of Nonlinear Optical (NLO) Materials von Yu, Hongwei, Koocher, Nathan Z., Rondinelli, James M., Halasyamani, P. Shiv

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Theoretical Model of Oxidative Adsorption of Water on a Highly Reduced Reconstructed Oxide Surface von Koocher, Nathan Z, Martirez, John Mark P, Rappe, Andrew M

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Effect of Octahedral Connectivity on the Negative Thermal Expansion of SrZrS 3 von Koocher, Nathan Z, Rondinelli, James M

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Computationally Directed Discovery of MoBi2 von Altman, Alison B., Tamerius, Alexandra D., Koocher, Nathan Z., Meng, Yue, Pickard, Chris J., Walsh, James P. S., Rondinelli, James M., Jacobsen, Steven D., Freedman, Danna E.

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Large Exchange Coupling Between Localized Spins and Topological Bands in MnBi2Te4 von Padmanabhan, Hari, Stoica, Vladimir A., Kim, Peter K., Poore, Maxwell, Yang, Tiannan, Shen, Xiaozhe, Reid, Alexander H., Lin, Ming‐Fu, Park, Suji, Yang, Jie, Wang, Huaiyu (Hugo), Koocher, Nathan Z., Puggioni, Danilo, Georgescu, Alexandru B., Min, Lujin, Lee, Seng Huat, Mao, Zhiqiang, Rondinelli, James M., Lindenberg, Aaron M., Chen, Long‐Qing, Wang, Xijie, Averitt, Richard D., Freeland, John W., Gopalan, Venkatraman

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Pb 2 BO 3 I: A Borate Iodide with the Largest Second-Harmonic Generation (SHG) Response in the KBe 2 BO 3 F 2 (KBBF) Family of Nonlinear Optical (NLO) Materials von Yu, Hongwei, Koocher, Nathan Z, Rondinelli, James M, Halasyamani, P Shiv

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Large Exchange Coupling Between Localized Spins and Topological Bands in MnBi 2 Te 4 von Padmanabhan, Hari, Stoica, Vladimir A, Kim, Peter K, Poore, Maxwell, Yang, Tiannan, Shen, Xiaozhe, Reid, Alexander H, Lin, Ming-Fu, Park, Suji, Yang, Jie, Wang, Huaiyu Hugo, Koocher, Nathan Z, Puggioni, Danilo, Georgescu, Alexandru B, Min, Lujin, Lee, Seng Huat, Mao, Zhiqiang, Rondinelli, James M, Lindenberg, Aaron M, Chen, Long-Qing, Wang, Xijie, Averitt, Richard D, Freeland, John W, Gopalan, Venkatraman

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Computationally Directed Discovery of MoBi 2 von Altman, Alison B, Tamerius, Alexandra D, Koocher, Nathan Z, Meng, Yue, Pickard, Chris J, Walsh, James P S, Rondinelli, James M, Jacobsen, Steven D, Freedman, Danna E

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Physical insights on the low lattice thermal conductivity of AgInSe2 von Zhu, Yingcai, Wei, Bin, Liu, Junyan, Koocher, Nathan Z., Li, Yongheng, Hu, Lei, He, Wenke, Deng, Guochu, Xu, Wei, Wang, Xueyun, Rondinelli, James M., Zhao, Li-Dong, Snyder, G. Jeffrey, Hong, Jiawang

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Beryllium-Free β-Rb 2 Al 2 B 2 O 7 as a Possible Deep-Ultraviolet Nonlinear Optical Material Replacement for KBe 2 BO 3 F 2 von Tran, T Thao, Koocher, Nathan Z, Rondinelli, James M, Halasyamani, P Shiv

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Pb2BO3I: A Borate Iodide with the Largest Second‐Harmonic Generation (SHG) Response in the KBe2BO3F2 (KBBF) Family of Nonlinear Optical (NLO) Materials von Yu, Hongwei, Koocher, Nathan Z., Rondinelli, James M., Halasyamani, P. Shiv

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Beryllium‐Free β‐Rb2Al2B2O7 as a Possible Deep‐Ultraviolet Nonlinear Optical Material Replacement for KBe2BO3F2 von Tran, T. Thao, Koocher, Nathan Z., Rondinelli, James M., Halasyamani, P. Shiv

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Computationally Directed Discovery of MoBi2 von Altman, Alison B., Tamerius, Alexandra D., Koocher, Nathan Z., Meng, Yue, Pickard, Chris J., Walsh, James S., Rondinelli, James M., Jacobsen, Steven D., Freedman, Danna E.

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Synergistically Optimizing Carrier Concentration and Decreasing Sound Velocity in n-type AgInSe 2 Thermoelectrics von Zhu, Yingcai, Liu, Yong, Wood, Max, Koocher, Nathan Z., Liu, Yanyu, Liu, Lijuan, Hu, Tiandou, Rondinelli, James M., Hong, Jiawang, Snyder, G. Jeffrey, Xu, Wei

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