The list (in approximate reverse chronological order) includes only papers published in peer-reviewed scientific journals. For the citation of the publications please refer to Google Scholar.

† Co-first author
* Corresponding author.

Preprints

49. Y. Hao, P. Liu†, Y. Feng†, X. Ma, E. F. Schwier, M. Arita, S. Kumar, C. Hu, R. Lu, M., Y. Wang, Z. Hao, H. Sun, K. Zhang, J. Mei, N. Ni, L. Wu, K. Shimada, C. Chen*, Q. Liu*, C. Liu*
Gapless surface Dirac cone in antiferromagnetic topological insulator MnBi2Te4
arXiv:1907.03722 (2019) accepted by Phys. Rev. X (PDF)

48. C. Hu, X. Zhou, P. Liu, J. Liu, P. Hao, E. Emmanouilidou, H. Sun, Y. Liu, H. Brawer, A. P. Ramirez, H. Cao, Q. Liu*, D. Dessau*, N. Ni*
A van der Waals antiferromagnetic topological insulator with weak interlayer magnetic coupling
arXiv:1905.02154 (2019) (PDF)

47. Y. Zhang, P. Liu, H. Sun, H. Xu, Q. Liu*
Symmetry-assisted protection and compensation of hidden spin polarization in centrosymmetric systems
arXiv:1902.10277 (2019) (PDF)

2019

46. Z. Wang, Q. Liu, J.-W. Luo, A. Zunger*
Digging for topological property in disordered alloys: the emergence of Weyl semimetal phase and sequential band inversions in PbSe–SnSe alloys
Mater. Horiz.,  Advance Article (2019) (PDF)

45. H. Sun, B. Xia, Z. Chen, Y. Zhang, P. Liu, Q. Yao, H. Tang, Y. Zhao, H. Xu, Q. Liu*
Rational design principles of quantum anomalous Hall effect from superlatticelike magnetic topological insulators
Phys. Rev. Lett. 123, 096401 (2019) (PDF)

44. Z. Wang*, T. Zhou, T. Jiang, H. Sun, Y. Zang, Y. Gong, J. Zhang, M. Tong, X. Xie, Q.  Liu*, C. Chen*, K. He, Q. Xue
Dimensional crossover and topological nature of the thin films of a three-dimensional topological insulator by band gap engineering
Nano Lett. 19, 4627 (2019) (PDF)

43. L. Yuan, Q. Liu, X. Zhang, J.-W. Luo*, S. Li, and A. Zunger*
Uncovering and tailoring hidden Rashba spin-orbit splitting in centrosymmetric crystals
Nat. Commun. 10, 906 (2019) (PDF)

42. Q. Liu*, G. Dalpian and A. Zunger*
Anti-doping in Insulators and Semiconductors having Intermediate Bands with Trapped Carriers
Phys. Rev. Lett. 122, 106403 (2019) (PDF) (SUSTech News)

2018

41. Q. Liu*, Q. Yao, Z. Kelly, C. Pasco, T. McQueen, S. Lany and A. Zunger*
Electron Doping of Proposed Kagome Quantum Spin Liquid Produces Localized States in the Band Gap
Phys. Rev. Lett. 121, 186402 (2018) (PDF) (SUSTech News) (知社学术圈)

40.  J. Zheng, G. Teng, J. Yang, M. Xu, Q. Yao, Z. Zhuo, W. Yang, Q. Liu* and F. Pan* 
Mechanism of Exact Transition Between Cationic and Anionic Redox Activities in Cathode Material Li2FeSiO4
J. Phys. Chem. Lett. 9, 6262 (2018) (PDF)

39.  X. Zhang†, Q. Liu†, Q. Xu†, X. Dai and A. Zunger
Topological insulators vs. topological Dirac semimetals in honeycomb compounds
J. Am. Chem. Soc. 140, 13687 (2018) (
PDF)

38. G. Dalpian, Q. Liu, J. Varignon, M. Bibes and A. Zunger
Bond disproportionation, charge self-regulation, and ligand holes in s-p and in d-electron ABX3 perovskites by density functional theory
Phys. Rev. B 98, 075135 (2018) (PDF)

37. X. Zhou*, Q. Liu*, Q. Wu, T. Nummy, H. Li, J. Griffith, S. Parham, J. Waugh, E. Emmanouilidou, B. Shen, O. Yazyev, N. Ni and D. Dessau
Coexistence of tunable Weyl points and topological nodal lines in ternary transition-metal telluride TaIrTe4
Phys. Rev. B 97, 241102(R) (2018) (PDF)

36. T. Nummy, J. Waugh, S. Parham, Q. Liu, H. Yang, H. Li, X. Zhou, N. Plumb, F. Tafti, and D. Dessau
Measurement of the atomic orbital composition of the near-fermi-level electronic states in the lanthanum monopnictides LaBi, LaSb, and LaAs
npj Quan. Mater. 3, 24 (2018) (PDF)

2013-2017

35. Q. Liu* and A. Zunger
Predicted Realization of Cubic Dirac Fermion in Quasi-One-Dimensional Transition-Metal Monochalcogenides
Phys. Rev. X 7, 021019 (2017). (PDF)

34. X. Zhang*, L. B. Abdalla, Q. Liu* and A. Zunger*
Enabling electronic motif for topological insulation in ABO3 perovskites and its structural stability
Adv. Func. Mater. 27, 1701266 (2017) (PDF)

 33. G. M. Dalpian†, Q. Liu†, C. C. Stoumpos†, A. P. Douvalis, M. Balasubramanian, M. G. Kanatzidis and Alex Zunger
Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues,
Phys. Rev. Mater. 1, 025401 (2017).(PDF)

32. X. Zhou, Q. Liu*, J. A. Waugh, H. Li, T. Nummy, X. Zhang, X. Zhu, G. Cao, A. Zunger* and D. S. Dessau*
Predicted electronic markers for polytypes of LaOBiS2 examined via angular resolved photoemission spectroscopy
Phys. Rev. B 95, 075118 (2017).(PDF)

31. J. A. Waugh, T. Nummy, S. Parham, Q. Liu, X. Zhang, A. Zunger and D. S. Dessau
Minimal ingredients for orbital-texture switches at Dirac points in strong spin–orbit coupled materials 
npj Quan. Mater. 1, 16025 (2016) (PDF)

30. Q. Liu*, X. Zhang, J. A. Waugh, D. S. Dessau and A. Zunger
Orbital mapping of energy bands and the truncated spin polarization in three-dimensional Rashba semiconductors
Phys. Rev. B 94, 125207 (2016) (PDF)

29. Q. Liu*, X. Zhang and A. Zunger
Polytypism in LaOBiS2-type compounds based on different three-dimensional stacking sequences of two-dimensional BiS2 layers
Phys. Rev. B 93, 174119 (2016) (
PDF)

28. Q. Liu*, X. Zhang and A. Zunger* 
Transforming common III-V and II-VI semiconductor compounds into topological heterostructures: The case of CdTe/InSb superlattices
Adv. Func. Mater. 26, 3259 (2016) (PDF)

27. Q Liu*, X Zhang, H Jin, K Lam, J Im, AJ Freeman, A Zunger
Search and design of nonmagnetic centrosymmetric layered crystals with large local spin polarization
Phys. Rev. B 91 (23), 235204 2015 (PDF)

26. Q. Liu*, X. Zhang and A. Zunger* 
Intrinsic circular polarization in centrosymmetric stacks of transition-metal dichalcogenides 
Phys. Rev. Lett. 114, 087402 (2015) (PDF)

25. Y Wang, Z Ni, Q Liu, R Quhe, J Zheng, M Ye, D Yu, J Shi, J Yang, J Li
All‐Metallic Vertical Transistors Based on Stacked Dirac Materials
Adv. Func. Mater. 25 (1), 68-77 (2015) (PDF)

24. Q. Liu*, X. Zhang, L. B. Abdalla, A. Fazzio and A. Zunger* 
Switching a Normal Insulator into a Topological Insulator via Electric Field with Application to Phosphorene
Nano Lett. 15(2), 1222 (2015)  (PDF

23. X. Zhang†, Q. Liu†, J.-W. Luo*, A. J. Freeman, A. Zunger*
Hidden spin polarization in inversion-symmetric bulk crystals
Nat. Phys. 10, 387 (2014) (PDF) (Nature News)

22. J. Zheng, C. Xu, L. Wang, Q. Zheng, H. Li, Q. Liu, R. Quhe, Z. Gao, J. Shi, J. Lu
Sign-changeable spin-filter efficiency in linear carbon atomic chain
Physica E 48, 101-105 (2013) (PDF)

21. J. Zheng, L. Wang, R. Quhe, Q. Liu, H. Li, D. Yu, W. Mei, J. Shi, Z .Gao, J. Lu
Sub-10 nm gate length graphene transistors: operating at terahertz frequencies with current saturation
Sci. Rep. 3, 1314 (2013) (PDF)

20. Q. Liu*, Y. Guo, A. J. Freeman
Tunable Rashba Effect in Two-dimensional LaOBiS2 Films: Ultra-thin Candidates for Spin Field Effect Transistors 
Nano Lett. 13, 5264 (2013) (PDF)

Before 2013

19. Q. Liu†, L. Li, Y. Li, Z. Gao, Z. Chen, J. Lu
Tuning Electronic Structure of Bilayer MoS2 by Vertical Electric Field: A First-Principles Investigation
J.Phys.Chem.C 116 (40), 21556-21562 (2012) (PDF)

18. R. Quhe, R. Fei, Q. Liu, J. Zheng, H. Li, C. Xu, Z. Ni, Y. Wang, D. Yu, Z. Gao
Tunable and sizable band gap in silicene by surface adsorption
Scientific reports 2, 853 (2012) (PDF)

17. Y. Wang, J. Zheng, Z. Ni, R. Fei, Q. Liu, R. Quhe, C. Xu, J. Zhou, Z. Gao, J. Lu
Half-Metallic Silicene and Germanene Nanoribbons: Towards High-Performance Spintronics Device
Nano 7 (05), 1250037 (2012) (PDF)

16. K. Tang, Z. Ni, Q. Liu, R. Quhe, Q. Zheng, J. Zheng, R. Fei, Z. Gao
Electronic and transport properties of a biased multilayer hexagonal boron nitride
Eur. Phys. J. B 85 (9), 1-7 (2012) (PDF)

15. H. Li, L. Wang, Q. Liu, J. Zheng, W. Mei, Z. Gao, J. Shi, J. Lu
High performance silicene nanoribbon field effect transistors with current saturation
Eur. Phys. J. B  85 (8), 1-6 (2012) (PDF)

14. H Li, N Al-Aqtash, L Wang, R Qin, Q Liu, J Zheng, WN Mei, RF Sabirianov
Electromechanical switch in metallic graphene nanoribbons via twisting
Physica E: Low-dimensional Systems and Nanostructures 44 (10), 2021-2026 (2012) (PDF)

13. C. Xu, G. Luo, Q. Liu, J. Zheng, Z. Zhang, S. Nagase, Z. Gao, J. Lu
Giant magnetoresistance in silicene nanoribbons
Nanoscale 4 (10), 3111-3117 (2012) (PDF)

12. R. Quhe, J. Zheng, G. Luo, Q. Liu, R. Qin, J. Zhou, D. Yu, S. Nagase, W. Mei
Tunable and sizable band gap of single-layer graphene sandwiched between hexagonal boron nitride
NPG Asia Materials 4, e6 (2012) (PDF)

11. Q. Zheng, G. Luo, Q. Liu, R. Quhe, J. Zheng, K. Tang, Z. Gao, S. Nagase, J. Lu
Structural and electronic properties of bilayer and trilayer graphdiyne
Nanoscale 4 (13), 3990-3996 (2012) (PDF)

10. Z. Ni, Q. Liu, K. Tang, J. Zheng, J. Zhou, R. Qin, Z. Gao, D. Yu, J. Lu
Tunable bandgap in silicene and germanene
Nano lett.12 (1), 113-118 (2012) (PDF)

9. L. Yu, X. Yan, H. Li, R. Qin, G. Luo, C. Xu, J. Zheng, Q. Liu, J. Lu, Z. Gao
Negative rectification and negative differential resistance in nanoscale single-walled carbon nanotube pn junctions
Theor Chem Acc 130 (2-3), 353-359 (2011) (PDF)

8. C. Xu, L. Li, H. Li, R. Qin, J. Zheng, G. Luo, Q. Liu, X. Yan, L. Yu, J. Lu, Z. Gao
Sign-changeable spin-filter efficiency and giant magnetoresistance in seamless graphene nanoribbon junctions
Computational Materials Science 50 (10), 2886-2890 (2011) (PDF)

7. Q. Liu, G. Luo, R. Qin, H. Li, X. Yan, C. Xu, L. Lai, J. Zhou, S. Hou, E. Wang
Negative differential resistance in parallel single-walled carbon nanotube contacts
Phys. Rev. B 83 (15), 155442 (2011) (PDF)

6. Q. Liu, L. Yu, H. Li, R. Qin, Z. Jing, J. Zheng, Z. Gao, J. Lu
All-Metallic High-Performance Field Effect Transistor Based on Telescoping Carbon Nanotubes: An ab Initio Study
J. Phys. Chem. C 115 (14), 6933-6938 (2011) (PDF)

5. L. Li, R. Qin, H. Li, L. Yu, Q. Liu, G. Luo, Z. Gao, J. Lu
Functionalized Graphene for High-Performance Two-Dimensional Spintronics Devices
ACS nano 5 (4), 2601-2610 (2011) (PDF)

4. K. Ji, L. Yu, J. Lu, H. Li, G. Luo, J. Zhou, R. Qin, Q. Liu, L. Lai, Z. Gao
Structural, Electronic and Magnetic Properties of Ultra-Narrow NbSe2 Nanoribbons
J. Nanosci. Nanotechnol. 11 (3), 2075-2079 (2011) (PDF)

3. H. Li, X. Yan, G. Luo, R. Qin, Q. Liu, L. Yu, C. Xu, J. Zheng, J. Zhou, J. Lu, Z. Gao
Functionalized metallic single-walled carbon nanotubes as a high-performance single-molecule organic field effect transistor: an ab initio study
J. Phys. Chem. C 114 (37), 15816-15822 (2010) (PDF)

2. R. Qin, J. Lu, L. Lai, J. Zhou, H. Li, Q. Liu, G. Luo, L. Zhao, Z. Gao, W. Mei, G. Li
Room-temperature giant magnetoresistance over one billion percent in a bare graphene nanoribbon device
Phys. Rev. B 81 (23), 233403 (2010) (PDF)

1. Q. Liu, J. Lu, Z. Gao, L. Lai, R. Qin, H. Li, J. Zhou, G. Li
Electron localization and emission mechanism in wurtzite (Al, In, Ga) N alloys
Phys. Status Solidi B 247 (1), 109-114 (2010) (PDF)