Yubo Zhang

发表

Remarkable Band-Gap Renormalization via Dimensionality of the Layered Material C3B

Peihong Zhang, Wenguang Zhu, Yabei Wu, 2020, Physical Review Applied.

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional.

Jianwei Sun, Haowei Peng, Xifan Wu, 2016, Nature chemistry.

Regulating Exciton–Phonon Coupling to Achieve a Near‐Unity Photoluminescence Quantum Yield in One‐Dimensional Hybrid Metal Halides

X. Lü, Wenge Yang, Biwu Ma, 2021, Advanced science.

Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA

J. Perdew, Xifan Wu, Yubo Zhang, 2017, 1702.04817.

Competing stripe and magnetic phases in the cuprates from first principles

J. Perdew, C. Lane, A. Bansil, 2019, Proceedings of the National Academy of Sciences.

Deciphering the structure-photoluminescence correlation at small-tilt-angle grain boundaries in monolayer WS2

Yubo Zhang, Junhao Lin, Fuchen Hou, 2022, Applied Physics Letters.

Critical role of magnetic moments in heavy-fermion materials: Revisiting SmB6

C. Lane, A. Bansil, Yubo Zhang, 2022, Physical Review B.

SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials

M. Klein, J. Perdew, A. Ruzsinszky, 2015, 1511.01089.

Electric Polarization Switching on an Atomically Thin Metallic Oxide.

Lang Chen, Peihong Zhang, Yubo Zhang, 2020, Nano letters.

A first-principles-based study of the thermodynamics of competing low-energy states in correlated materials: Example of cuprates

C. Lane, A. Bansil, Yubo Zhang, 2019, 1906.05217.

High-performance non-Fermi-liquid metallic thermoelectric materials

Yubo Zhang, Wenqing Zhang, Jun Luo, 2022, npj Computational Materials.

Functional-Unit-Based Material Design: Ultralow Thermal Conductivity in Thermoelectrics with Linear Triatomic Resonant Bonds.

Yubo Zhang, Jinyang Xi, Wenqing Zhang, 2022, Journal of the American Chemical Society.

MoSi2N4: An emerging 2D electronic material with protected band edge states and dielectric tunable quasiparticle and optical properties

Peihong Zhang, Wenguang Zhu, Yabei Wu, 2021 .

Ag rearrangement induced metal-insulator phase transition in thermoelectric MgAgSb

G. J. Snyder, Zuxun Zhang, Yubo Zhang, 2022, Materials Today Physics.

Identification of a monoclinic metallic state in VO2 from a modified first-principles approach

Zhi-yong Liang, Yubo Zhang, Ping-Li Qin, 2016, Modern Physics Letters B.

Off‐Stoichiometry Quaternary Heusler‐Like Semiconductors with Magnetism and Disorder

Y. Zhang, Yubo Zhang, Ke Zhong, 2022, Advanced Functional Materials.

Observation of a Room Temperature Two-dimensional Ferroelectric Metal

Lang Chen, Peihong Zhang, Yubo Zhang, 2019, 1908.08726.

Pinning down high-performance Cu-chalcogenides as thin-film solar cell absorbers: A successive screening approach.

Peihong Zhang, Yubo Zhang, Wenqing Zhang, 2016, The Journal of chemical physics.

Electronic structure of antifluorite Cu2X (X = S, Se, Te) within the modified Becke-Johnson potential plus an on-site Coulomb U.

Peihong Zhang, Yubo Zhang, Youwei Wang, 2014, The Journal of chemical physics.

Chemical bonding, conductive network, and thermoelectric performance of the ternary semiconductors Cu2SnX3(X=Se,S) from first principles

David J. Singh, Jihui Yang, Wenqing Zhang, 2012 .

Comparative study of structural and electronic properties of Cu-based multinary semiconductors

Xiu-Dong Sun, B. Shih, Peihong Zhang, 2011, 1106.4738.

Thermodynamic Ground States of Multifunctional Metal Dodecaborides

Liangcai Wu, Yubo Zhang, Wenqing Zhang, 2019, Chemistry of Materials.

Spinon excitations in the quasi-one-dimensional S=12 chain compound Cs4CuSb2Cl12

T. McQueen, Yubo Zhang, Jianwei Sun, 2020, Physical Review B.

Surface chiral metal in a bulk half-integer quantum Hall insulator

Kun Yang, V. Gopalan, F. Balakirev, 2019 .

First-principles calculation of spin and orbital contributions to magnetically ordered moments in Sr2IrO4

C. Lane, A. Bansil, Yubo Zhang, 2020, 2004.04759.

Exceptionally large anomalous Hall effect due to anticrossing of spin-split bands in the antiferromagnetic half-Heusler compound TbPtBi

D. Graf, Hsin Lin, BaoKai Wang, 2020, Physical Review B.

An accurate first-principles treatment of doping-dependent electronic structure of high-temperature cuprate superconductors

C. Lane, A. Bansil, Yubo Zhang, 2018 .

Strong excitonic effect in organic-inorganic hybrid crystals

Xiu-Dong Sun, Shan Zheng, Yubo Zhang, 2012 .

Critical role of magnetic moments on lattice dynamics in YBa${}_{2}$Cu${}_{3}$O${}_{6}$

C. Lane, A. Bansil, Yubo Zhang, 2022, 2210.06569.

Symmetry-breaking polymorphous descriptions for correlated materials without interelectronic U

A. Zunger, Yubo Zhang, Jianwei Sun, 2019, 1906.06467.

Tunable Negative Poisson's Ratio in Van der Waals Superlattice

Yubo Zhang, P. Gong, Xiaowen Li, 2021, Research.

Tunable catalytic activity of cobalt-intercalated layered MnO2 for water oxidation through confinement and local ordering

M. Klein, Jianwei Sun, Yubo Zhang, 2019, Journal of Catalysis.

Sensitivity of the electronic and magnetic structures of cuprate superconductors to density functional approximations

C. Lane, A. Bansil, Yubo Zhang, 2020, npj Computational Materials.

Ab intio description of the electronic structure of high-temperature cuprate superconductors: A Comparative Density Functional Study

C. Lane, A. Bansil, Yubo Zhang, 2020 .

Antiferromagnetic ground state of La2CuO4 : A parameter-free ab initio description

C. Lane, A. Bansil, Yubo Zhang, 2018, Physical Review B.

An accurate first-principles treatment of doping-dependent electronic structure of high-temperature cuprate superconductors

C. Lane, A. Bansil, Yubo Zhang, 2018, Communications Physics.

Competing stripe and magnetic phases in the cuprates from first principles

J. Perdew, C. Lane, A. Bansil, 2018, Proceedings of the National Academy of Sciences.

First-principles calculation of spin and orbital contributions to magnetically ordered moments in Sr_{2}IrO_{4}

Markiewicz, C. Lane, A. Bansil, 2020 .

VO2: Orbital competition, magnetism, and phase stability

Peihong Zhang, Yubo Zhang, Wenqing Zhang, 2012 .

High intrinsic carrier mobility and photon absorption in the perovskite CH3NH3PbI3.

Peihong Zhang, Yubo Zhang, Wenqing Zhang, 2015, Physical chemistry chemical physics : PCCP.

Subtlety of TiO2 phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error.

Yubo Zhang, Jianwei Sun, B. Xiao, 2019, The Journal of chemical physics.

Effects of biaxial strain on the improper multiferroicity in h − LuFe O 3 films studied using the restrained thermal expansion method

Hongwei Wang, Xifan Wu, Yubo Zhang, 2017 .

Tuning Electrical Conductance in Bilayer MoS2 through Defect-Mediated Interlayer Chemical Bonding.

F. Miao, Gang Wang, Yubo Zhang, 2020, ACS nano.

Accurate fi rst-principles structures and energies of diversely bonded systems from an ef fi cient density functional

M. Klein, J. Perdew, A. Ruzsinszky, 2016 .

Structural properties and quasiparticle band structures of Cu-based quaternary semiconductors for photovoltaic applications

Xiu-Dong Sun, Peihong Zhang, Yubo Zhang, 2012 .

Geometry strategy for engineering the recombination possibility of excitons in nanowires.

Yubo Zhang, Wenqing Zhang, Youwei Wang, 2016, Nanoscale.

Efficient first-principles prediction of solid stability: Towards chemical accuracy

Gerbrand Ceder, Tina Chen, Haowei Peng, 2018, npj Computational Materials.

Half-Heusler-like compounds with wide continuous compositions and tunable p- to n-type semiconducting thermoelectrics

Yubo Zhang, Y. Grin, Jun Luo, 2022, Nature Communications.

High‐Performance Pseudocubic Thermoelectric Materials from Non‐cubic Chalcopyrite Compounds

Jihui Yang, Wenqing Zhang, Ctirad Uher, 2014, Advanced materials.

Prediction of protected band edge states and dielectric tunable quasiparticle and excitonic properties of monolayer MoSi2N4

Peihong Zhang, Wenguang Zhu, Yabei Wu, 2021, npj Computational Materials.

Near-edge band structures and band gaps of Cu-based semiconductors predicted by the modified Becke-Johnson potential plus an on-site Coulomb U.

Peihong Zhang, Yubo Zhang, Wenqing Zhang, 2013, The Journal of chemical physics.

Electronic properties of energy harvesting Cu-chalcogenides: p–d hybridization and d-electron localization

Peihong Zhang, Yubo Zhang, Wenqing Zhang, 2015 .

Understanding the Quantum Oscillation Spectrum of Heavy-fermion Compound SmB6

C. Lane, A. Bansil, Yubo Zhang, 2020 .

Half-Heusler-like compounds with wide continuous compositions and tunable p- to n-type semiconducting thermoelectrics

Yubo Zhang, Wenqing Zhang, Y. Grin, 2022 .

Screened Coulomb interaction of localized electrons in solids from first principles

Wenqing Zhang, Peihong Zhang, B. Shih, 2012 .

First-principles study of the halide-passivation effects on the electronic structures of CdSe quantum dots

Yubo Zhang, Wenqing Zhang, Youwei Wang, 2014 .

Localization in the SCAN meta-generalized gradient approximation functional leading to broken symmetry ground states for graphene and benzene.

David J. Singh, Yubo Zhang, Wenqing Zhang, 2020, Physical chemistry chemical physics : PCCP.

High intrinsic carrier mobility and photon absorption in the perovskite CH3NH3PbI3.

Peihong Zhang, Yubo Zhang, Wenqing Zhang, 2015, Physical chemistry chemical physics : PCCP.

Geometry strategy for engineering the recombination possibility of excitons in nanowires.

Yubo Zhang, Wenqing Zhang, Youwei Wang, 2016, Nanoscale.