Ferroelectric domain wall induced band gap reduction and charge separation in organometal halide perovskites S Liu, F Zheng, NZ Koocher, H Takenaka, F Wang, AM Rappe
The journal of physical chemistry letters 6 (4), 693-699, 2015
368 2015 First-Principles Calculation of the Bulk Photovoltaic Effect in CH3 NH3 PbI3 and CH3 NH3 PbI3–x Clx F Zheng, H Takenaka, F Wang, NZ Koocher, AM Rappe
The journal of physical chemistry letters 6 (1), 31-37, 2015
222 2015 Pb2 BO3 I: A Borate Iodide with the Largest Second‐Harmonic Generation (SHG) Response in the KBe2 BO3 F2 (KBBF) Family of Nonlinear Optical (NLO) Materials H Yu, NZ Koocher, JM Rondinelli, PS Halasyamani
Angewandte Chemie International Edition 57 (21), 6100-6103, 2018
191 2018 Beryllium‐Free β‐Rb2 Al2 B2 O7 as a Possible Deep‐Ultraviolet Nonlinear Optical Material Replacement for KBe2 BO3 F2 TT Tran, NZ Koocher, JM Rondinelli, PS Halasyamani
Angewandte Chemie 129 (11), 3015-3019, 2017
161 2017 Polarization Dependence of Water Adsorption to CH3 NH3 PbI3 (001) Surfaces NZ Koocher, D Saldana-Greco, F Wang, S Liu, AM Rappe
The journal of physical chemistry letters 6 (21), 4371-4378, 2015
136 2015 Evidence for the weakly coupled electron mechanism in an Anderson-Blount polar metal NJ Laurita, A Ron, JY Shan, D Puggioni, NZ Koocher, K Yamaura, Y Shi, ...
Nature communications 10 (1), 3217, 2019
47 2019 Interlayer magnetophononic coupling in MnBi2 Te4 H Padmanabhan, M Poore, PK Kim, NZ Koocher, VA Stoica, D Puggioni, ...
Nature communications 13 (1), 1929, 2022
39 2022 Synergistically Optimizing Carrier Concentration and Decreasing Sound Velocity in n-type AgInSe2 Thermoelectrics Y Zhu, Y Liu, M Wood, NZ Koocher, Y Liu, L Liu, T Hu, JM Rondinelli, ...
Chemistry of Materials 31 (19), 8182-8190, 2019
34 2019 Theoretical model of oxidative adsorption of water on a highly reduced reconstructed oxide surface NZ Koocher, JMP Martirez, AM Rappe
The journal of physical chemistry letters 5 (19), 3408-3414, 2014
32 2014 Discovery of highly polarizable semiconductors S Filippone, B Zhao, S Niu, NZ Koocher, D Silevitch, I Fina, JM Rondinelli, ...
Physical Review Materials 4 (9), 091601, 2020
30 2020 Physical insights on the low lattice thermal conductivity of AgInSe2 Y Zhu, B Wei, J Liu, NZ Koocher, Y Li, L Hu, W He, G Deng, W Xu, X Wang, ...
Materials Today Physics 19, 100428, 2021
29 2021 Computationally Directed Discovery of MoBi2 AB Altman, AD Tamerius, NZ Koocher, Y Meng, CJ Pickard, JPS Walsh, ...
Journal of the American Chemical Society 143 (1), 214-222, 2020
19 2020 Structure dependent phase stability and thermal expansion of ruddlesden–popper strontium titanates LF Huang, NZ Koocher, M Gu, JM Rondinelli
Chemistry of Materials 30 (20), 7100-7110, 2018
18 2018 Large Exchange Coupling Between Localized Spins and Topological Bands in MnBi2 Te4 H Padmanabhan, VA Stoica, PK Kim, M Poore, T Yang, X Shen, AH Reid, ...
Advanced Materials 34 (49), 2202841, 2022
15 2022 Negative thermal expansion in the Ruddlesden-Popper calcium titanates NZ Koocher, LF Huang, JM Rondinelli
Physical Review Materials 5 (5), 053601, 2021
12 2021 Low-energy electronic structure of perovskite and Ruddlesden-Popper semiconductors in the Ba-Zr-S system probed by bond-selective polarized x-ray absorption spectroscopy … K Ye, NZ Koocher, S Filippone, S Niu, B Zhao, M Yeung, S Bone, ...
Physical Review B 105 (19), 195203, 2022
10 2022 Effect of Octahedral Connectivity on the Negative Thermal Expansion of SrZrS3 NZ Koocher, JM Rondinelli
Inorganic chemistry 62 (28), 11134-11141, 2023
3 2023 Sub-picosecond coherent magnetophononic coupling in MnBi2Te4 H Padmanabhan, M Poore, P Kim, NZ Koocher, VA Stoica, D Puggioni, ...
arXiv preprint arXiv:2104.08356, 2021
3 2021 Heteroanionic Stabilization of Ni1+ with Nonplanar Coordination in Layered Nickelates D Puggioni, J Harada, N Charles, N Koocher, Y Wang, K Poeppelmeier, ...
Bulletin of the American Physical Society, 2024
2024 Heteroanionic stabilization of JK Harada, N Charles, NZ Koocher, Y Wang, KR Kamp, MR Baxter, ...
Physical Review Materials 8 (2), 024803, 2024
2024 