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52. Hongwei Wang, Lixin He*, and Xifan Wu**
Room temperature multiferroism in CaTcO3 by interface engineering
Computational Materials Science 96, 171 - 177 (2015).

 

51. Hai Wei, G-C Guo and Lixin He*
Tuning of the hole spin relaxation time in single self-assembled In1? x Ga x As/GaAs quantum dots by electric field
Journal of Applied Physics 116, 204304 (2014).

 

50. Jianping Wang, G-C Guo and Lixin He*
Theory of strain tuning fine structure splitting in self-assembled InAs/GaAs quantum dots
J. Phys.: Cond. Matter. 96, 475301 (2014). (IOP selected)

 

49. Hongwei Wang, Igor V. Solovyev, Wenbin Wang, Xiao Wang, Philip J. Ryan, David J. Keavney, Jong-Woo Kim, Thomas Z. Ward, Leyi Zhu, Jian Shen, X. M. Cheng, Lixin He, Xiaoshan Xu, and Xifan Wu
Structural and electronic origin of the magnetic structures in hexagonal LuFeO3
Phys. Rev. B 90, 014436 (2014).

 

48. Kun Cao, R. D. Johnson, Feliciano Giustino, Paolo G. Radaelli, G-C. Guo, and Lixin He*
First-principles study of multiferroic RbFe(MoO4)(2)
Phys. Rev. B 90, 024402 (2014).

 

47. X. F. Wu, H. Wei, X. M. Dou, K. Ding, Y. Yu, H. Q. Ni, Z. C. Niu, Y. Ji, S. S. Li, D. S. Jiang, G.-C. Guo, Lixin He*, and B. Q. Sun**
In situ tuning biexciton antibinding-binding transition and fine-structure splitting through hydrostatic pressure in single InGaAs quantum dots
EPL 107, 27008 (2014).

 

46. Hai Wei, Guang-Can Guo, and Lixin He*
Slow exciton spin relaxation in single self-assembled In1-xGaxAs/GaAs quantum dots
Phys. Rev. B 89, 245305 (2014).

 

45. Zhen Wang,Yongjian Han, Guang-Can Guo, and Lixin He*
Size consistency of tensor network methods for quantum many-body systems
Phys. Rev. B 88, 121105(R) (2013).

 

44. Lin Lin, Mohan Chen, Chao Yang, Lixin He
Accelerating Atomic Orbital-based Electronic Structure Calculation via Pole Expansion and Selected Inversion
J. Phys.: Condens Matter 25, 295501 (2013).

 

43. W. Wang, H. Wang, X. Xu, L. Zhu, Lixin He, E. Wills, X. Cheng, D. J. Keavney, J. Shen, X. Wu, X. Xu
Cyrstal field splitting and optical band gap of hexagonal LuFeO$_3$ films
Appl. Phys. Lett. 101, 241907 (2012).

 

42. Jianping Wang, Ming Gong, Guang-Can Guo and Lixin He*
Temperature dependent empirical pseudopotential theory for self-assembled quantum dots
J. Phys.: Condens. Matter 24, 475302 (2012).

 

41. Hongwei Wang, Lixin He* and Xifan Wu**
Interface enhancement of spin-polar phonon coupling in perovskite multiferroic superlattices
EPL 100, 17005 (2012).

 

40. Jianping Wang, Ming Gong, Guang-Can Guo, and Lixin He*
Eliminating the fine structure splitting of excitons in self-assembled InAs/GaAs quantum dots via combined stresses
Appl. Phys. Lett. 101, 063114 (2012).

 

39. Kun Cao, Guang-Can Guo, and Lixin He*
Molecular-spin dynamics study of electromagnons in multiferroic RMn2O5
J. Phys.: Condens. Matter 24, 206001 (2012).

 

38. Guangxi Jin, Kun Cao, Guang-Can Guo, and Lixin He*
Origin of Ferroelectricity in High-T-c Magnetic Ferroelectric CuO
Phys. Rev. Lett. 108, 187205 (2012).

 

37. Zhi-Xin Chen, Han Ma, Mohan Chen, Xiang-Fa Zhou, Lixin He, Guang-Can Guo, Xingxiang Zhou, Yan Chen, Zheng-Wei Zhou*
Overlaying optical lattices for simulation of complex frustrated antiferromagnets
Phys. Rev. A 85, 013632 (2012).

 

36. Hai Wei, Ming Gong, G-C Guo, and Lixin He*
Atomistic pseudopotential theory of spin relaxation in self-assembled In1-xGaxAs/GaAs quantum dots at zero magnetic field
Phys. Rev. B 85, 045317 (2012).

 

35. Ming Gong, Weiwei Zhang, Guang Can Guo, and Lixin He*
Atomistic pseudopotential theory of optical properties of exciton complexes in InAs/InP quantum dots
Appl. Phys. Lett. 99, 231106 (2011).

 

34. Mohan Chen, G-C Guo, and Lixin He*
Electronic structure interpolation via atomic orbitals
J. Phys.: Condens. Matter 23, 325501 (2011).

 

33. Mohan Chen, Wenlu Sun, G-C Guo, and Lixin He*
Substrate induced bandgap in multilayer epitaxial graphene on the 4H-SiC (000\bar{1}) surface
Phys. Status Solidi B 248, 1690–1695 (2011).

 

32. Ming Gong , Weiwei Zhang, Guang-Can Guo, and Lixin He*
Exciton Polarization, Fine-Structure Splitting, and the Asymmetry of Quantum Dots under Uniaxial Stress

Phys. Rev. Lett. 106, 227401 (2011).

 

31. Mohan Chen, G-C Guo, and Lixin He*
Systematically improvable optimized atomic basis sets for ab initio calculations
J. Phys.: Condens. Matter 22, 445501 (2010).

 

30. M Gong, G Chen, Lixin He*, C-F Li**, J-S Tang, F-W Sun, Z-C Niu, S-S
Huang, Y-H Xiong, H-Q Ni, G-C Guo
Direct observation of excitonic polaron in InAs/GaAs quantum dots
Euro. Phys. Lett. 90, 37004 (2010).

 

29. X-J Ren XJ, Z Wang, X-X Zhou, Z-W Zhou, Lixin He
Three-tangle of assistance
Phys. Rev. A 81, 042306 (2010).

 

28. G Chen G, C-F Li, Z-Q Yin, Y Zou Y, L-X He, G-C Guo GC
Hyper-entangled photon pairs from single quantum dots
Euro. Phys. Lett. 89, 44002 (2010).

 

27. Kun Cao, Zheng-Wei Zhou, Guang-Can Guo, and Lixin He*
Efficient numerical method to calculate the three-tangle of mixed states
Phys. Rev. A 81, 034302 (2010)
.

 

26. Geng Chen, Jian-Shun Tang, Chuan-Feng Li, Ming Gong, Yang Zou, Jin-Shi Xu, Lei Chen, Li-Xin He and Guang-Can Guo
Convenient exciton lifetime measurement of quantum dots with high resolution
Physica E 42, 196 (2009).

 

25. Kun Cao, Guang-Can Guo, David Vanderbilt, and Lixin He*
First-Principles Modeling of Multiferroic RMn2O5
Phys. Rev. Lett. 103, 257201 (2009).

 

24. Weiwei Zhang, Ming Gong, Chuan-Feng Li, Guang-Can Guo, and Lixin He*
Temperature dependence of exciton complexes photoluminescence spectra in self-assembled InAs/GaAs quantum rings
J. Appl. Phys. 106, 104314 (2009).

 

23. Mohan Chen, Wei Fang, G.-Z. Sun, G.-C. Guo, and Lixin He*
Method to construct transferable minimal basis sets for ab initio calculations
Phys. Rev. B 80, 165121 (2009).

 

22. Tianqi Shen, Kun Cao, Guang-Can Guo, Lixin He*
First-principles study of the spin-lattice coulpling in spin frustrated DyMn$_2$O$_5$
Phys. Rev. B 78, 134413 (2008).

 

21. Lixin He*, Ming Gong, Chuan-Feng Li, Guang-Can Guo, Alex Zunger
Highly reduced fine-structure splitting in InAs/InP quantum dots offering an efficient on-demand entangled 1.55-$\mu$m-photon emitter
Phys. Rev. Lett. 101, 157405 (2008).

 

20. Weiwei Zhang, Zhiqiang Su, Ming Gong, Chuan-Feng Li, Guang-Can Guo, Lixin He*
Giant optical anisotropy in cylindrical self-assembled InAs/GaAs quantum rings
Euro. Phys. Lett. 83, 67004 (2008).

 

19. C. Wang, G-C Guo, Lixin He*
First-principles study of the lattice and electronic structure of TbMn2O5
Phys. Rev. B 77, 134113 (2008).

 

18. M. Gong, K. Duan, C-F Li, R. Magri, G.A. Narvaez, Lixin He*
Electronic structure of self-assembled InAs/InP quantum dots: A Comparison with self-assembled InAs/GaAs quantum dots
Phys. Rev. B 77, 045326 (2008).

 

17. C. Wang, G-C Guo, Lixin He*
Ferroelectricity driven by the non-centrosymmetric magnetic ordering in multiferroic TbMn2O5: a first-principles study
Phys. Rev. Lett. 99, 177202 (2007).

 

16. G. Bester, D.Reuter, Lixin He, A. Zunger, P. Kailuweit, A. D. Wieck, U. Zeitler, J.C. Maan, O. Wibbelho, A. Lorke
Experimental imaging and atomistic modeling of electron and hole quasiparticle wave functions in InAs/GaAs quantum dots
Phys. Rev. B 76,075338 (2007).

 

15. Lixin He, Gabriel Bester, Zhiqiang Su and Alex Zunger
Calculation of near-field scanning optical images of exciton,charged-exciton,and multiexciton wave functions in self-assembled InAs/GaAs quantum dots
Phys. Rev. B 76, 035313 (2007).

 

14. Lixin He and Alex Zunger
Electronic structures of (In,Ga)As/GaAs quantum dot molecules made of dots with dissimilar sizes
Phys. Rev. B 75, 075330 (2007).

 

13. Lixin He and Alex Zunger
Multiple charging of InAs/GaAs quantum dots by electrons or holes: addition energies and ground-state configurations
Phys. Rev. B 73, 115324 (2006).

 

12. Gustavo A.Narvaez, Lixin He, Gabriel Bester,and Alex Zunger
Theoretical predictions of the electronic and optical properties of single and coupled (In,Ga)As/GaAs quantum dots
Physica E 32, 93 (2006).

 

11. Lixin He, Gabriel Bester and Alex Zunger
Electronic phase diagrams of carriers in self-assembled InAs/GaAs quantum dots: violation of Hund's rule and the Aufbau principle for holes
Phys. Rev. Lett. 95, 246804 (2005).

 

10. Lixin He, Gabriel Bester and Alex Zunger
Singlet-triplet splitting, correlation and entanglement of two electrons in quantum dot molecules
Phys. Rev. B 72, 195307 (2005).

 

9. Lixin He, Gabriel Bester and Alex Zunger
Electronic asymmetry in self-assembled quantum dot-molecules made of identical InAs/GaAs quantum dots
Phys. Rev. B 72, 081311(R) (2005).

 

8. Lixin He, Gabriel Bester and Alex Zunger
Prediction of an excitonic ground state in InAs/InSb quantum dots
Phys. Rev. Lett. 94, 016801 (2005).

 

7. Lixin He, Gabriel Bester and Alex Zunger
Strain induced interfacial hole localization and light/heavy hole reversal in self-assembled quantum dots: compressive InAs/GaAs vs. tensile InAs/InSb
Phys. Rev. B 70, 235316 (2004).

 

6. Lixin He and D. Vanderbilt
First-principles study of oxygen vacancy pinning of domain walls in PbTiO3
Phys. Rev. B 68, 134103 (2003).

 

5. M.H. Cohen, J.B. Neaton, Lixin He,and D.Vanderbilt
Extrinsic models of the enormous dielectric response of CaCu3Ti4O12
J. Appl. Phys. 94, 3299 (2003).

 

4. Lixin He, J.B. Neaton, D. Vanderbilt and M.H.Cohen
Lattice dielectric response of CdCu3Ti4O12 and of CaCu3Ti4O12 from first principles
Phys. Rev. B 67, 012103 (2003).

 

3. Lixin He, J.B. Neaton, M.H. Cohen, D.Vanderbilt and C.C.Homes
First-principles study of the structure and lattice dielectric response of CaCu3Ti4O12
Phys. Rev. B 65, 214112 (2002).

 

2. Lixin He and D.Vanderbilt
Exponential decay properties of Wannier functions and related quantities
Phys. Rev. Lett. 86, 5341 (2001).

 

1. Lixin He and G.Cheng
RAA electron-phonon interaction cannot support high Tc in YBaCuO
Communication in Theoretical Physics 31, 305 (1999)
.

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