Lijun Zhang

Postdoctoral Researcher

Photo of Lijun Zhang
(303) 384-6545
At NREL Since: 

Dr. Zhang joined NREL in February 2010 as a postdoctoral researcher in the Solid State Theory Team. In July 2008, he received his Ph.D. in condensed matter physics from Jilin University, China, under the supervision of Prof. Guangtian Zou and Prof. Yanming Ma. He then worked as a postdoctoral researcher with Dr. David J. Singh in the Materials Theory Group of Oak Ridge National Laboratory. His research focuses on studying physical properties of materials using first-principle and empirical electronic structure calculations. Lijun has published approximately 40 peer-reviewed papers with 500-plus citations. His current h-index value is 11.

Research Interests 

  • Computational modeling of semiconductor quantum nanostructures
  • Excited-state properties of functional nanoscale materials
  • Defects in semiconductors
  • Electronic structure and its relation to magnetism and superconductivity
  • Thermoelectric materials and transport properties
  • Electron-phonon coupling and conventional superconductivity
  • Soft mode, lattice dynamics and thermal properties
  • High pressure physics

Selected Publications 

  1. Zhang, L.; Luo, J.-W.; Zunger, A.; Akopian, N.; Zwiller, V.; Harmand, J.-C. (2010). "Wide InP nanowires with Wurtzite/Zincblende superlattice segments are type-II whereas narrower nanowires become type-I: An atomistic pseudopotential calculation." Nano Lett. (10); p. 4055.
  2. Qazilbash, M. M.; Hamlin, J. J.; Baumbach, R. E.; Zhang, Lijun; Singh, D. J.; Maple, M. B.; Basov, D. N. (2009). "Electronic correlations in the iron pnictides." Nature Phys. (5); p. 647.
  3. Zhang, L.; Thienprasert, J.-T.; Du, M.-H.; Singh, D. J.; Limpijumnong, S. (2009). "Comment on 'Spectroscopic Signatures of Novel Oxygen-Defect Complexes in Stoichiometrically Controlled CdSe." Phys. Rev. Lett. (102); p. 209601.
  4. Zhang, L.; Subedi, A.; Singh, D. J.; Du, M. H. (2008). "Possible superconductivity in Fe-Sb based materials: Density functional study of LiFeSb." Phys. Rev. B. (78); p. 174520.
  5. Zhang, L.; Wang, Y.; Cui, T.; Li, Y.; He, Z.; Ma, Y.; Zou, G. (2007). "CaCl2-type high-pressure phase of magnesium hydride predicted by ab initio phonon calculations." Phys. Rev. B. (75); p. 144109.