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Alex Zunger

university of colorado

147H-index
1.1KPaper Count
10.4WCitation Count
Published Papers 338
Publication Date
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Matter with apparent and hidden spin physics
errMatter
IF17.5
err2026-03-13
err0
PREAI
errJia-Xin Xiong; Xiuwen Zhang; Lin-Ding Yuan; Alex Zunger
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Alloying multiple halide perovskites on the same sublattice in search of stability and target band gaps
errMater. Horiz.
IF10.7
err2025-09-16
err0
PREAI
errFernando P. Sabino; Jia-Xin Xiong; Xiuwen Zhang; Gustavo M. Dalpian; Alex Zunger
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Symmetry breaking forms split-off flat bands in quantum oxides controlling metal versus insulator phases
errPHYSICAL REVIEW B
IF3.7
err2025-01-30
err0
PREAI
errXiong, Jia-Xin; Zhang, Xiuwen; Zunger, Alex
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Polymorphous nature of the local structure of δ-Bi2O3
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-12-26
err0
PREAI
errZhao, Xin-Gang; Malyi, Oleksandr I.; Zunger, Alex
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Hidden magnetism and split off flat bands in the insulator metal transition in VO2
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-09-13
err0
errOAAI
errZhang, Xiuwen; Xiong, Jia-Xin; Zunger, Alex
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Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites
errPHYSICAL REVIEW B
IF3.7
err2024-07-30
err1
PREAI
errSabino, Fernando P.; Zhao, Xin Gang; Dalpian, Gustavo M.; Zunger, Alex
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Light-Induced Frenkel Defect Pair Formation Can Lead to Phase-Segregation of Otherwise Miscible Halide Perovskite Alloys
errADVANCED ENERGY MATERIALS
IF26
err2023-10-11
err10
PREAI
errSabino, Fernando P.; Dalpian, Gustavo M.; Zunger, Alex
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Uncovering spin-orbit coupling-independent hidden spin polarization of energy bands in antiferromagnets
errNATURE COMMUNICATIONS
IF15.7
err2023-08-31
err12
errOAAI
errYuan, Lin-Ding; Zhang, Xiuwen; Acosta, Carlos Mera; Zunger, Alex
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Insulating band gaps both below and above the Neel temperature in d-electron LaTiO3, LaVO3, SrMnO3, and LaMnO3 perovskites as a symmetry-breaking event
errPHYSICAL REVIEW MATERIALS
IF3.4
err2023-07-21
err9
PREAI
errMalyi, Oleksandr I.; Zhao, Xin-Gang; Zunger, Alex
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Degeneracy Removal of Spin Bands in Collinear Antiferromagnets with Non-Interconvertible Spin-Structure Motif Pair
errADVANCED MATERIALS
IF26.8
err2023-06-25
err17
PREAI
errYuan, Lin-Ding; Zunger, Alex
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Rise and fall of Mott insulating gaps in YNiO3 paramagnets as a reflection of symmetry breaking and remaking
errPHYSICAL REVIEW MATERIALS
IF3.4
err2023-04-18
err10
errOAAI
errMalyi, Oleksandr I.; Zunger, Alex
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Hidden Zeeman-type spin polarization in bulk crystals
errPHYSICAL REVIEW B
IF3.7
err2023-02-07
err6
errOAAI
errGuan, Shan; Luo, Jun-Wei; Li, Shu-Shen; Zunger, Alex
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Density functional description of spin, lattice, and spin-lattice dynamics in antiferromagnetic and paramagnetic phases at finite temperatures
errPHYSICAL REVIEW B
IF3.7
err2022-10-10
err13
errOAAI
errGambino, Davide; Malyi, Oleksandr I.; Wang, Zhi; Alling, Bjorn; Zunger, Alex
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errSave
Density functional thermodynamic description of spin, phonon and displacement degrees of freedom in antiferromagnetic-to-paramagnetic phase transition in YNiO3
errMATERIALS TODAY PHYSICS
IF9.7
err2022-10-01
err23
errOAAI
errDu, J. L.; Malyi, O. I.; Shang, S. -l.; Wang, Y.; Zhao, X. -g.; Liu, F.; Zunger, A.; Liu, Z. -k.
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Bridging the gap between density functional theory and quantum materials
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2022-09-26
err12
PREAI
errZunger, Alex
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errSave
Intrinsic local symmetry breaking in nominally cubic paraelectric BaTiO3
errPHYSICAL REVIEW B
IF3.7
err2022-06-10
err20
errOAAI
errZhao, Xin-Gang; Malyi, Oleksandr I.; Billinge, Simon J. L.; Zunger, Alex
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errSave
Dependence of band gaps in d-electron perovskite oxides on magnetism
errPHYSICAL REVIEW B
IF3.7
err2022-04-07
err11
errOAAI
errVarignon, Julien; Malyi, Oleksandr I.; Zunger, Alex
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Local positional and spin symmetry breaking as a source of magnetism and insulation in paramagnetic EuTiO3
errPHYSICAL REVIEW MATERIALS
IF3.4
err2022-03-28
err12
errOAAI
errMalyi, Oleksandr, I; Zhao, Xin-Gang; Bussmann-Holder, Annette; Zunger, Alex
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errSave
Bulk NdNiO2 is thermodynamically unstable with respect to decomposition while hydrogenation reduces the instability and transforms it from metal to insulator
errPHYSICAL REVIEW B
IF3.7
err2022-01-19
err38
errOAAI
errMalyi, Oleksandr, I; Varignon, Julien; Zunger, Alex
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Intrinsic doping limitations in inorganic lead halide perovskites
errMATERIALS HORIZONS
IF10.7
err2022-01-01
err14
errOAAI
errSabino, Fernando P.; Zunger, Alex; Dalpian, Gustavo M.
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Research Directions

No research directions
Co-authors
Cooperation Journals
M
Michael F. Toney
H-index: 140 · Papers: 1.0K
J
John Robertson
H-index: 133 · Papers: 1.0K
S
Su‐Huai Wei
H-index: 132 · Papers: 933
A
Aron Walsh
H-index: 126 · Papers: 984
F
Feng Yan
H-index: 121 · Papers: 1.3K
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