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Physical Review B, 2020
302 2020 The polymorphous nature of cubic halide perovskites X Zhao, GM Dalpian, Z Wang, A Zunger
Physical Review B, 2020
183 2020 Prediction of low-Z collinear and noncollinear antiferromagnetic compounds having momentum-dependent spin splitting even without spin-orbit coupling LD Yuan, Z Wang, JW Luo, A Zunger
Physical Review Materials 5 (1), 014409, 2021
163 2021 Polymorphous band structure model of gapping in the antiferromagnetic and paramagnetic phases of the Mott insulators MnO, FeO, CoO, and NiO G Trimarchi, Z Wang, A Zunger
Physical Review B 97 (3), 035107, 2018
147 2018 Interplay between plasmon and single-particle excitations in a metal nanocluster J Ma, Z Wang, LW Wang
Nature communications 6 (1), 10107, 2015
140 2015 Efficient real-time time-dependent density functional theory method and its application to a collision of an ion with a 2D material Z Wang, SS Li, LW Wang
Physical review letters 114 (6), 063004, 2015
101 2015 Mechanism study on the interfacial stability of a lithium garnet-type oxide electrolyte against cathode materials N Zhang, X Long, Z Wang, P Yu, F Han, J Fu, GX Ren, Y Wu, S Zheng, ...
ACS Applied Energy Materials 1 (11), 5968-5976, 2018
94 2018 Symmetry-breaking polymorphous descriptions for correlated materials without interelectronic U Y Zhang, J Furness, R Zhang, Z Wang, A Zunger, J Sun
Physical Review B 102 (4), 045112, 2020
71 2020 Effect of static local distortions vs. dynamic motions on the stability and band gaps of cubic oxide and halide perovskites XG Zhao, Z Wang, OI Malyi, A Zunger
Materials Today 49, 107-122, 2021
59 2021 Realization of predicted exotic materials: The burden of proof OI Malyi, GM Dalpian, XG Zhao, Z Wang, A Zunger
Materials Today 32, 35-45, 2020
46 2020 Understanding electronic peculiarities in tetragonal FeSe as local structural symmetry breaking Z Wang, XG Zhao, R Koch, SJL Billinge, A Zunger
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44 2020 Mass enhancement in and perovskites from symmetry breaking Z Wang, OI Malyi, X Zhao, A Zunger
Physical Review B 103 (16), 165110, 2021
41 2021 Strong influence of nonmagnetic ligands on the momentum-dependent spin splitting in antiferromagnets LD Yuan, Z Wang, JW Luo, A Zunger
Physical Review B 103 (22), 224410, 2021
33 2021 Digging for topological property in disordered alloys: the emergence of Weyl semimetal phase and sequential band inversions in PbSe–SnSe alloys Z Wang, Q Liu, JW Luo, A Zunger
Materials Horizons 6 (10), 2124-2134, 2019
24 2019 Dielectric response function for colloidal semiconductor quantum dots A Karpulevich, H Bui, Z Wang, S Hapke, C Palencia Ramírez, H Weller, ...
The Journal of chemical physics 151 (22), 2019
23 2019 Unifying the order and disorder dynamics in photoexcited VO2 HW Liu, WH Liu, ZJ Suo, Z Wang, JW Luo, SS Li, LW Wang
Proceedings of the National Academy of Sciences 119 (28), e2122534119, 2022
21 2022 Density functional description of spin, lattice, and spin-lattice dynamics in antiferromagnetic and paramagnetic phases at finite temperatures D Gambino, OI Malyi, Z Wang, B Alling, A Zunger
Physical Review B 106 (13), 134406, 2022
14 2022 Emergent linear Rashba spin-orbit coupling offers fast manipulation of hole-spin qubits in germanium Y Liu, JX Xiong, Z Wang, WL Ma, S Guan, JW Luo, SS Li
Physical Review B 105 (7), 075313, 2022
13 2022 Algorithm advances and applications of time‐dependent first‐principles simulations for ultrafast dynamics WH Liu, Z Wang, ZH Chen, JW Luo, SS Li, LW Wang
Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (3), e1577, 2022
11 2022 Origin of immediate damping of coherent oscillations in photoinduced Charge-density-wave transition WH Liu, YX Gu, Z Wang, SS Li, LW Wang, JW Luo
Physical Review Letters 130 (14), 146901, 2023
9 2023