Y. Li, Y. J. Jia, B. Zhao, H. R. Bao, H. Huan, H. M. Weng, and Z. Q. Yang, Stacking-Layer-Tuned Topological Phases in M2Bi2Te5 (M = Ge, Sn, Pb) Films, Phys. Rev. B 108, 085428 (2023).

Y. Xue, W. Xu, B. Zhao, J. Y. Zhang, and Z. Q. Yang, Antiferromagnetic quantum spin Hall insulators with high spin Chern numbers, Phys. Rev. B 108, 075138 (2023).

Y. Xue, T. Zhou, W. Xu, B. Zhao, I. Zutic, and Z. Q. Yang, Tuning corner states in proximitized second-order topological insulators with bulk-boundary obstruction, Phys. Rev. B 108, L161110 (2023).

H. R. Bao, B. Zhao, J. Y. Zhang, Y. Xue, T. Zhou, and Z. Q. Yang, Quantum anomalous Hall effect with high Chern numbers in functionalized square-octagon Sb monolayers, 2D Mater. 10, 035004 (2023).

Z. J. Li, Y. Xue, Q. Z. Yao, B. Zhao, W. Xu, and Z. Q. Yang, A new type of stable borophene with flat-band-induced magnetism, Nanotechnology 34, 505701 (2023).

Y. Duan, W. T. Xu, W. X. Kong, J. X. Wang, J. Z. Zhang, Z. Q. Yang, and Q. Cai, Modification on flower defects and electronic properties of epitaxial graphene by erbium, ACS Omega 8, 37600 (2023).

X. J. Liu, Z. J. Li, H. R. Bao, and Z. Q. Yang, Large‑band‑gap non‑Dirac quantum spin Hall states and strong Rashba effect in functionalized thallene films, Sci. Rep. 13, 15966 (2023).

L. Liu, H. Huan, Y. Xue, H. R. Bao, and Z. Q. Yang, Anisotropy-induced phase transitions in an intrinsic half-Chern insulator Ni2I2, Nanoscale 14, 13348 (2022).

W. Xu, J. W. Yi, H. Huan, B. Zhao, Y. Xue, and Z. Q. Yang, Two-dimensional half Chern-Weyl semimetal with multiple screw axes, Phys. Rev. B 106, 205108 (2022).

H. Huan, Y. Xue, B. Zhao, H. R. Bao, L. Liu, and Z. Q. Yang, Tunable Weyl half-semimetals in two-dimensional iron-based materials MFeSe (M = Tl, In, Ga), Phys. Rev. B 106, 125404 (2022).

X. J. Liu, J. Y. Zhang, Y. Wang, H. R. Bao, Y. Qi, and Z. Q. Yang, Prediction of high Curie-temperature intrinsic ferromagnetic semiconductors and quantum anomalous Hall states in XBr3 (X = Cu, Ag, Au) Monolayers,J. Mater. Chem. C, 10, 6497 (2022).

H. R. Bao, B. Zhao, J. Zhang, Y. Xue, H. Huan, G. Y. Gao, and Z. Q. Yang, Trigonal multivalent polonium monolayers with intrinsic quantum spin Hall effects, Sci. Rep. 12, 2129 (2022).

H. Huan, Y. Xue, B. Zhao, G. Y. Gao, H. R. Bao, and Z. Q. Yang, Strain-induced half-valley metals and topological phase transitions in MBr2 monolayers (M = Ru, Os), Phys. Rev. B 104, 165427 (2021).

L. Liu, B. Zhao, J. Y. Zhang, H. R. Bao, H. Huan, Y. Xue, Y. Li, and Z. Q. Yang, Prediction of coexistence of anomalous valley Hall and quantum anomalous Hall effects in breathing kagome-honeycomb lattices, Phys. Rev. B 104, 165427 (2021).

Y. Xue, H. Huan, B. Zhao, Y. H. Luo, Z. Y. Zhang, and Z. Q. Yang, Higher-order topological insulators in two-dimensional Dirac materials, Phys. Rev. Research 3, L042044 (2021).

Z. Y. Wan, H. Huan, H. R. Bao, X. J. Liu, and Z. Q. Yang, Electronic structures and topological properties of TeSe2 monolayers, Chin. Phys. B 30, 117304 (2021).

T. Zhou, S. G. Cheng, M. Schleenvoigt, P. Schuffelgen, H. Jiang, Z. Q. Yang, and I. Zutic, Quantum spin-valley Hall kink states: from concept to material design, Phys. Rev. Lett. 127, 11640 (2021).

H. R. Bao, B. Zhao, Y. Xue, H. Huan, G. Y. Gao, X. J. Liu, and Z. Q. Yang, Various half-metallic nodal loops in organic Cr2N6C3 monolayers, Nanoscale 13, 3161 (2021).

J. Y. Zhang, B. Zhao, C. L. Ma, and Z. Q. Yang, Bipolar ferromagnetic semiconductors and doping-tuned room-temperature half-metallicity in monolayer MoX3 (X=Cl, Br, I): an HSE06 study, Phys. Rev. B 103, 075433 (2021).

G. Y. Gao, H. R. Bao, B. Zhao, H. Huan, and Z. Q. Yang, Abundant topological phases in hydrogenated group-IV binary alloy compounds, RSC Adv. 11, 14434 (2021).

G. Y. Gao, H. Huan, H. R. Bao, Y. Xue, B. Zhao, R. Yu, and Z. Q. Yang, Prediction of Dirac semimetals and hourglass surface states in stacked hydrogenated Xenes (X = Sn and Pb), Phys. Rev. B 102, 205114 (2020).

X. Y. Wei, J. Y. Zhang, B. Zhao, and Z. Q. Yang, Coexistence of valley polarization and Chern insulating states in MoS2 monolayers with n-p codoping, Sci. Rep. 10, 9851 (2020).

H. Zhao, X. W. Zhang, X. C. Liu, and Z. Q. Yang, Thermally driven pure spin current through an interacting quantum dot, Phys. Lett. A 384, 126607 (2020).

X. J. Liu, H. R. Bao, Y. Li, and Z. Q. Yang, Prediction of nodal‑line semimetals in two‑dimensional black phosphorous films, Sci. Rep. 10, 21351 (2020).

Y. Li, Y. D. Jiang, J. L. Zhang, Z. C. Liu, Z. Q. Yang, and J. Wang, Intrinsic topological phases in Mn2Bi2Te5 tuned by the layer magnetization, Phys. Rev. B 102, 121107(R) (2020).

Y. Li, J. Y. Zhang, B. Zhao, Y. Xue, and Z. Q. Yang, ‘Constructive’ coupling effect of topological states and topological phase transitions in plumbene, Phys. Rev. B 99, 195402 (2019).

J. J. Zhou, T. Zhou, S. G. Cheng, H. Jiang, and Z. Q. Yang, Engineering Topological quantum dot through planar magnetization in bismuthene,, Phys. Rev. B 99, 195422 (2019).

J. Y. Zhang, B. Zhao, T. Zhou, Y. Xue, Y. Fang, C. L. Ma, and Z. Q. Yang, Topologically trivial states induced by strong spin-orbit coupling and Chern insulators in doped X(C21H3N15) (X=Ta, Hf) metal-organic frameworks, Phys. Rev. B 99, 035409 (2019).

J. Y. Zhang, B. Zhao, C. L. Ma, and Z. Q. Yang, Prediction of intrinsic two-dimensional non-Dirac topological insulators in triangular metal-organic frameworks, Appl. Phys. Lett. 114, 043102 (2019).

Y. S. Mu, Y. Xue, T. Zhou, and Z. Q. Yang, Quantum Anomalous Hall Effects and Various Topological Mechanisms in Functionalized Sn Monolayers, New J. Phys. 21, 023010 (2019).

Y. Zhu, Y. F. Pan, Z. Q. Yang, X. Y. Wei, J. Hu, Y. P. Feng, H. Zhang, and R. Q. Wu, Ruderman–Kittel–Kasuya–Yosida Mechanism for Magnetic Ordering of Sparse Fe Adatoms on Graphen, J. Phys. Chem. C, 123, 4441 (2019).

T. Zhou, J. Y. Zhang, H. Jiang, I. Zutic, and Z. Q. Yang, Giant spin-valley polarization and multiple Hall effect in functionalized bismuth monolayers, NPJ Quantum Materials 3, 39 (2018).

Y. Xue, J. Y. Zhang, B. Zhao, X. Y. Wei, and Z. Q. Yang, Non-Dirac Chern insulators with large band gaps and spin-polarized edge states, Nanoscale 10, 8569 (2018).

Y. Xue, B. Zhao, Y. Zhu, T. Zhou, J. Y. Zhang, N. B. Li, H. Jiang, and Z. Q. Yang, Novel Chern insulators with half-metallic edge states, NPG-Asia Materials 10, 467 (2018).

J. Y. Zhang, B. Zhao, Y. Xue, T. Zhou, and Z. Q. Yang, Coupling effect of topological states and Chern insulators in two-dimensional triangular lattices, Phys.Rev. B 97, 125430 (2018).

J. Y. Zhang, B. Zhao, T. Zhou, Y. Xue, C. L. Ma, and Z. Q. Yang, Strong magnetization and Chern insulators in compressed graphene/CrI3 van der Waals heterostructures, Phys.Rev. B 97, 085401 (2018).

N. B. Li, J. Y. Zhang, Y. Xue, T. Zhou, and Z. Q. Yang, Large valley polarization in monolayer MoTe2 on a magnetic substrate, Phys. Chem. Chem. Phys. 20, 3805 (2018).

X. Wei, B. Zhao, J. Zhang, Y. Xue, Y. Li, and Z. Q. Yang, Chern indulstors without band inversion in MoS2 monolayers with 3d adatoms, Phys.Rev. B 95, 075419 (2017).

J. Liu, W. K. Pang, T. Zhou, L. Chen, Y. Wang, V. K. Peterson, Z. Q. Yang, Z. Guo, and Y. Xia, Li2TiSiO5: a low potential and large capacity Ti-based anode material for Li-ion batteries, Energy Environ. Sci., 10, 1456 (2017).

Y. Cui, H. Zhang, W. Chen, Z. Q. Yang, and Q. Cai, Structural Evolution of Flower Defects and Effects on the Electronic Structures of Epitaxial Graphene, J. Phys. Chem. C 121, 15282 (2017).

T. Zhou, J. Zhang, Y. Xue, B. Zhao, H. Zhang, H. Jiang, and Z. Q. Yang, Quantum spin-quantum anomalous Hall effect with tunable edge states in Sb monolayer-based heterostructures, Phys. Rev. B 94, 235449 (2016).

H. Zhang, J. Zhang, B. Zhao, T. Zhou, and Z. Q. Yang, Quantum anomalous Hall effect in stable dumbbell stanene, Appl. Phys. Lett 108, 082104 (2016).

H. Zhang, T. Zhou, J. Zhang, B. Zhao, Y. Yao, and Z. Q. Yang, Quantum anomalous Hall effect in stanene on a nonmagnetic substrate, Phys. Rev. B 94, 235409 (2016).

J. Zhang, B. Zhao, T. Zhou, and Z. Q. Yang, Quantum anomalous Hall effect in real materials, Chin. Phys. B 25, 117308 (2016) (Review Article, Invited).

C. Zhang, T. Zhou, S. Liang, J. Cao, X. Yuan, Y. Liu, Y. Shen, Q. Wang, J. Zhao, Z. Q. Yang, and F. Xiu, Unexpected low thermal conductivity and large power factor in Dirac semimetal Cd3As2, Chin. Phys. Lett. 25, 017202 (2016).

T. Zhou, C. Zhang, H. Zhang, F. Xiu, and Z. Q. Yang, Enhanced thermoelectric properties of the Dirac semimetal Cd3As2, Inorg. Chem. Front. 3, 1637 (2016).

J. Y. Zhang, B. Zhao, Y. G. Yao, and Z. Q. Yang, Robust quantum anomalous Hall effect in graphene-based van der Waals heterostructures, Phys. Rev. B 92, 165418 (2015).

Z. Liu, X. Y. Wei, J. J. Wang, H. Pan, F. Ji, M. Ye, Z. Q. Yang, and S. Qiao, Local atomic and electronic structures in ferromagnetic tipological insulator Cr-doped (BixSb1-x)2Te3 studied by XAFS and ab initio calculations, Phys. Rev. B 92, 100101(R) (2015).

T. Zhou, J. Y. Zhang, B. Zhao, H. S. Zhang, and Z. Q. Yang, Quantum spin-quantum anomalous Hall insulators and topological transitions in functionalized Sb (111) monolayers, Nano Lett. 15, 5149 (2015).

J. Y. Zhang, B. Zhao, Y. G. Yao, and Z. Q. Yang, Quantum anomalous Hall effect in graphene-based heterostructure, Sci. Rep. 5, 10629 (2015).

Y. P. An, K. D. Wang, Z. Q. Yang, Z. Y. Liu, G. R. Jia, Z. Y. Jiao, T. X. Wang, and G. L. Xu, Negative differential resistance and rectification effects in step-like graphene nanoribbons, Organic Electronics 17, 262 (2015).

X. Y. Wei, J. Y. Zhang, B. Zhao, Y. Zhu, and Z. Q.Yan, Ferromagnetism in Fe-doped Bi2Se3 topological insulators with Se vacancies, Phys. Lett. A 379, 417 (2015).

Y. C.Wang, K. Jiang, H. Zhang, T. Zhou, J.W. Wang, W. Wei, Z. Q. Yang, X. H. Sun , W.-B. Cai, and G. F. Zheng Bio-Inspired Leaf-Mimicking Nanosheet/Nanotube Heterostructure as a Highly Effi cient Oxygen Evolution Catalyst, Adv. Sci. 2, 1500003 (2015).

J. Li, Y. C. Wang, T. Zhou, H. Zhang, X. H. Sun, J. Tang, L. J. Zhang, A. M. Al-Enizi, Z. Q. Yang, and G. F. Zheng Nanoparticle Superlattices as Efficient Bifunctional Electrocatalyst for Water Splitting, J. Am. Chem. Soc.137, 14305 (2015).

B. Zhao, J. Y. Zhang, W. X. Feng, Y. G. Yao, and Z. Q. Yang, Quantum spin Hall and Z2 metallic states in an organic material, Phys. Rev. B 90, 201403(R) (2014).

B. Zhao, J. Y. Zhang, Y. C. Wang, Z. Q. Yang, Quantum valley Hall states and topological transitons in Pt (Ni, Pd)-decorated silicene: A first-principles study, J. Chem. Phys. 141, 244701 (2014).

Z. B. Su, Y. P. An, X. Y. Wei, and Z. Q. Yang, Spin-dependent thermoelectronic transport of a single molecule magnet Mn(dmit)2, J. Chem. Phys. 140, 204707 (2014).

H. S. Zhang, T. Z. G. F. Xie, J. X. Cao, and Z. Q. Yang, Thermal transport in folded zigzag and armchair graphene nanoribbons, Appl. Phys. Lett. 104, 241908 (2014).

Z. Liu, X. Y. Wei, J. J. Wang, et al., Z. Q. Yang, and S. Qiao, Local structures around 3d metal dopants in topological insulator Bi2Se3 studied by EXAFS measurements, Phys. Rev. B 90, 094107 (2014).

Y. C. Wang, J. Tang, T. Zhou, P. M. Da, J. Li, B. Kong, Z. Q. Yang, and G. F. Zheng, Reversible Chemical Tuning of Charge Carriers for Enhanced Photoelectrochemical Conversion and Probing of Living Cells, SMALL 201401059 (2014).

Y. C. Wang, T. Zhou, K. Jiang, P. M. Da, Z. Peng, J. Tang, B. Kong, W. B. Cai, Z. Q. Yang, and G. F. Zheng, Mesoporous Co3O4 Nanowires as Efficient Water Oxidation Electrocatalysts and Supercapacitor Electrodes, Adv. Energy Mater. 4, 1400696 (2014).

J. Y. Zhang, B. Zhao, and Z. Q. Yang, Abundant topological states in silicene with transition metal adatoms, Phys. Rev. B 88, 165422 (2013).

W. W. Ju, G. Q. Liu, and Z. Q. Yang, Exotic spin-orbital Mott insulating states in BaIrO3, Phys. Rev. B 87, 075112 (2013).

W. W. Ju, B. Zhao, and Z. Q. Yang, Strain-induced orbital polarization and multiple phase transitions in Ba2MnWO6 from first principles, J. Chem. Phys. 139, 204707 (2013).

Y. P. An, W. Ji, and Z. Q. Yang, Z-like conducting pathways in zigzag graphene nanoribbons with edge protrusions, J. Phys. Chem. C, 116, 5915 (2012).

W. W. Ju and Z. Q. Yang, Influence of spin-orbit coupling on electronic structures of TM@Au12 (TM=3d, 4d, and 5d atoms, Phys. Lett. A 376, 1300 (2012).

Y. P. An, X. Y. Wei,and Z. Q. Yang, Improving electronic transport of zigzag graphene nanoribbons by ordered doping of B or N atoms, Phys. Chem. Chem. Phys. 14, 15802 (2012).

D. W. Ma, Z. Y. Li, and Z. Q. Yang, Strong spin–orbit splitting in graphene with adsorbed Au atoms, Carbon 50, 297 (2012).

Y. P. An and Z. Q. Yang, Abnormal electronic transport and negative differential resistance of graphene nanoribbons with defects, Appl. Phys. Lett. 99, 192102 (2011).

D. W. Ma and Z. Q. Yang, First-principles studies of Pb doping in graphene: stability, energy gap and spin–orbit splitting, New J. Phys. 13, 123018 (2011).

Y. P. An, Z. Q. Yang, and M. A. Ratner, High-efficiency switching effect in porphyrin-ethyne-benzene conjugates, J. Chem. Phys. 135, 044706 (2011).

Z. M. Liu, Y. Zhu, and Z. Q. Yang, Half metallicity and electronic structures in armchair BCN-hybrid nanoribbons, J. Chem. Phys. 134, 074708 (2011).

Z. Y. Li, Z. Q. Yang et al., Spin–orbit splitting in graphene on metallic substrates, J. Phys.: Condens. Matter 23, 225502 (2011).

Y. F. Pan and Z. Q. Yang, Electronic structures and spin gapless semiconductors in BN nanoribbons with vacancies, Phys. Rev. B, 82, 195308 (2010).

W. Sheng, Z. Y. Ning, Z. Q. Yang, and H. Guo, Magnetism and perfect spin filtering effect in graphene nanoflakes, Nanotechnology 21, 385201 (2010).

Z. Y. Li, W. Sheng, Z. Y. Ning, Z. H. Zhang, Z. Q. Yang, and H. Guo, Magnetism and spin-polarized transport in carbon atomic wiress, Phys. Rev. B, 80, 115429 (2009).

W. Sheng, Z. Y. Li, Z. Y. Ning, Z. H. Zhang, Z. Q. Yang, and H. Guo, Quantum transport in alkane molecular wires: Effects of binding modes and anchoring groups, J. Chem. Phys. 131, 244712 (2009).

Y. Zhu, J. X. Cao, Z. Q. Yang, and R. Q. Wu,Origin of the codopant-induced enhancement of ferromagnetism in (Zn,Mn)O: Density functional calculations, Phys. Rev. B 79, 085206 (2009).

H.W. Ou, J. F. Zhao, Y. Zhang, B. P. Xie, D.W. Shen, Y. Zhu, Z. Q. Yang, J. G. Che, X. G. Luo, X. H. Chen, M. Arita, K. Shimada, H. Namatame, M. Taniguchi, C. M. Cheng, K. D. Tsuei, and D. L. Feng, Novel Electronic Structure Induced by a Highly Strained Oxide Interface with Incommensurate Crystal Fields, Phys. Rev. Lett. 102, 026806 (2009).

Z. Y. Li and Z. Q. Yang, Effects of extended and localized states on spin Hall polarization in ballistic Rashba structures, Phys. Rev. B, 77, 205322 (2008).

Y. Zhu, Y. Li, Z. Q. Yang, First-principles investigation on the electronic structures of intercalated fullerenes M3N@C80 (M=Sc, Y, and lanthanides), Chem. Phys. Lett. 461, 285 (2008).

Z. H. Zhang, Z. Q. Yang, J. H. Yuan, H. Zhang, X. Q. Ding, M. Qiu, First-principles investigation on electronics characteristics of benzene derivatives with different side groups, J. Chem. Phys. 129, 094702 (2008).

Z. H. Zhang, Z. Q. Yang, J. H. Yuan, and M. Qiu, First-principles investigation of the asymmetric contact effect on current-voltage characteristics of a molecular device, J. Chem. Phys. 128, 044711 (2008).

S. Picozzi, C. L. Ma, Z. Q. Yang, R. Bertacco, M. Cantoni, A. Cattoni, D. Petti, S. Brivio, F. Ciccacci, Oxygen vacancies and induced changes in the electronic and magnetic structures of La0.66Sr0.33MnO3: A combined ab initio and photoemission study, Phys. Rev. B, 75, 094418 (2007).

B. P. Xie, K. Yang, D.W. Shen, J. F. Zhao, H.W. Ou, J. Wei, S.Y. Gu, M. Arita, S. Qiao, H. Namatame, M. Taniguchi, N. Kaneko, H. Eisaki, K. D. Tsuei, C. M. Cheng, I. Vobornik, J. Fujii, G. Rossi, Z. Q. Yang, and D. L. Feng , High-Energy Scale Revival and Giant Kink in the Dispersion of a Cuprate Superconductor, Phy. Rev. Lett. 98, 147001 (2007).

Shijing Gong and Z. Q. Yang, Ideal switching effect in periodic spin-orbit coupling structures, J. Phys.: Condens. Matter 19，446209 （2007）.

Shijing Gong and Z. Q. Yang, Spin filtering implemented through Rashba spin-orbit coupling and weak magnetic modulations, J. Appl. Phys. 102, 33706 (2007).

Zhongyao Li and Z. Q. Yang,Influence of evanescent waves on spin polarization induced by spin-orbit couplings, Phys. Rev. B, 76, 033307 (2007).

Jun Yao, Y. C. Chen, M. Di Ventra, and Z. Q. Yang, Effect of atomic geometry on shot noise in aluminum quantum point contacts, Phys. Rev. B, 73, 233407 (2006).

Jun Yao and Z. Q. Yang, Spin accumulation in a ballistic Rashba bar, Phys. Rev. B 73, 033314 (2006).

Ji Luo, Z. Q. Yang, Zeng Quan Xue, Wei Min Liu, and Jin Lei Wu, Near homogeneous variation of potentials in large systems and the electronic structure of molecular quantum dots, J. Chem. Phys., 125, 094702 (2006).

Chunlan Ma, Z. Q. Yang and Silvia Picozzi, Ab-initio electronic and magnetic structure in La0.66Sr0.33MnO3: strain and correlation effects, J. Phys.: Condens. Matter 18, 7717 (2006).

Z. Q. Yang, M. Chshiev, M. Zwolak, Y. C. Chen, M. Diventra, Role of heating and current-induced forces in the stability of atomic wires, Phys. Rev. B 71, 041402 (R) (2005).