主要工作
有：1. 研究了晶體中電子局域化的性質。首次發現並證明了在一維晶格中， Wannier函式和密度矩陣的一般漸進形式為冪衰減與指數衰減之積；⒉預言了InAs/InSb 量子點中存在自發形成的電子-空穴對（即強關聯的激子基態）。此外的工作還包括介電，鐵電材料性質的研究；耦合量子點電子結構和糾纏態的研究；等等。
研究興趣
主要從事計算凝聚態物理研究,發展和套用第一性原理方法研究物質材料的基本物理性質；研究半導體量子點的電、光學性質，及其在量子計算和量子信息中的套用。
發表論文
1. A. Narvaez, Lixin He, G. Bester, and A. Zunger, "Theoretical predictions of the electronic and optical properties of single and coupled (In,Ga)As/GaAs quantum dots", Physica E (published online).
2. Lixin He and A. Zunger, "Multiple charging of InAs/GaAs quantum dots by electrons and holes: addition energies and ground-state configurations", Phys. Rev. B. （in press）. .
3. Lixin He, G. Bester and A. 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).
4. Lixin He, G. Bester and A. Zunger, "Singlet-triplet splitting, correlation and entanglement of two electrons in quantum dot molecules", Phys. Rev. B. 72, 195307 (2005).
5. Lixin He, G. Bester and A. Zunger, "Asymmetry in self-assembled quantum dot-molecules made of identical InAs/GaAs quantum dots", Phys. Rev. B, 72, 081311(R).
6. Lixin He, G. Bester and A. Zunger, "Prediction of an excitonic ground state in InAs/InSb quantum dots",
Phys. Rev. Lett. 94, 016801 (2005).
7. Lixin He, G. Bester and A. 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).
8. Lixin He and D. Vanderbilt, "First-principles study of oxygen vacancy pinning of domain walls in PbTiO3",
Phys. Rev. B 68, 134103 (2003).
9. 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).
10. 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).
11. 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).
12. Lixin He and D. Vanderbilt, "Exponential decay properties of Wannier functions and related quantities",
Phys. Rev. Lett. 86, 5341 (2001).
13. Lixin He and G. Cheng, "RAA electron-phonon interaction cannot support high Tc in YBaCuO", Communication in Theoretical Physics 31, 305 (1999).
