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Zunger, Alex
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1

Degeneracy Removal of Spin Bands in Collinear Antiferromagn..:

Yuan, Lin‐Ding ; Zunger, Alex
Advanced Materials.  35 (2023)  31 - p. , 2023
Link: https://doi.org/10.1002/..
 
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2

Insulating band gaps both below and above the Néel temperat..:

Malyi, Oleksandr I. ; Zhao, Xin-Gang ; Zunger, Alex
Physical Review Materials.  7 (2023)  7 - p. , 2023
Link: https://doi.org/10.1103/..
 
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3

Uncovering spin-orbit coupling-independent hidden spin pola..:

Yuan, Lin-Ding ; Zhang, Xiuwen ; Acosta, Carlos Mera.
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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4

Light‐Induced Frenkel Defect Pair Formation Can Lead to Pha..:

Sabino, Fernando P. ; Dalpian, Gustavo M. ; Zunger, Alex
Advanced Energy Materials.  13 (2023)  44 - p. , 2023
Link: https://doi.org/10.1002/..
 
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5

Bridging the gap between density functional theory and quan..:

Zunger, Alex
Nature Computational Science.  2 (2022)  9 - p. 529-532 , 2022
Link: https://doi.org/10.1038/..
 
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6

Intrinsic doping limitations in inorganic lead halide perov..:

Sabino, Fernando P. ; Zunger, Alex ; Dalpian, Gustavo M.
Materials Horizons.  9 (2022)  2 - p. 791-803 , 2022
Link: https://doi.org/10.1039/..
 
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7

Density functional description of spin, lattice, and spin-l..:

Gambino, Davide ; Malyi, Oleksandr I. ; Wang, Zhi..
Physical Review B.  106 (2022)  13 - p. , 2022
Link: https://doi.org/10.1103/..
 
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8

Local positional and spin symmetry breaking as a source of ..:

Malyi, Oleksandr I. ; Zhao, Xin-Gang ; Bussmann-Holder, Annette.
Physical Review Materials.  6 (2022)  3 - p. , 2022
Link: https://doi.org/10.1103/..
 
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9

Piezoelectricity in nominally centrosymmetric phases:

Aktas, Oktay ; Kangama, Moussa ; Linyu, Gan...
Physical Review Research.  3 (2021)  4 - p. , 2021
Link: https://doi.org/10.1103/..
 
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10

Prediction of low-Z collinear and noncollinear antiferromag..:

Yuan, Lin-Ding ; Wang, Zhi ; Luo, Jun-Wei.
Physical Review Materials.  5 (2021)  1 - p. , 2021
Link: https://doi.org/10.1103/..
 
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11

Understanding Doping of Quantum Materials:

Zunger, Alex ; Malyi, Oleksandr I.
Chemical Reviews.  121 (2021)  5 - p. 3031-3060 , 2021
Link: https://doi.org/10.1021/..
 
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12

Effect of static local distortions vs. dynamic motions on t..:

Zhao, Xin-Gang ; Wang, Zhi ; Malyi, Oleksandr I..
Materials Today.  49 (2021)  - p. 107-122 , 2021
Link: https://doi.org/10.1016/..
 
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13

Realization of predicted exotic materials: The burden of pr..:

Malyi, Oleksandr I. ; Dalpian, Gustavo M. ; Zhao, Xin-Gang..
Materials Today.  32 (2020)  - p. 35-45 , 2020
Link: https://doi.org/10.1016/..
 
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14

Origins versus fingerprints of the Jahn-Teller effect in d-..:

Varignon, Julien ; Bibes, Manuel ; Zunger, Alex
Physical Review Research.  1 (2019)  3 - p. , 2019
Link: https://doi.org/10.1103/..
 
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15

Antidoping in Insulators and Semiconductors Having Intermed..:

Liu, Qihang ; Dalpian, Gustavo M. ; Zunger, Alex
Physical Review Letters.  122 (2019)  10 - p. , 2019
Link: https://doi.org/10.1103/..
 
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