Skip navigation to main content. National Renewable Energy Laboratory (NREL)NREL HomeInnovation for Our Energy Future
About NRELScience and TechnologyTechnology TransferApplying TechnologiesLearning About Renewables
Basic Sciences Research
Basic Sciences Research Home Research and Development Biological Sciences Biomolecular Sciences Carbon-Based Nanoscience Chemical Sciences and Nanoscience Computational Materials Science Research Staff Optoelectronics Scientific Computing Solid State Spectroscopy Solid State Theory Superconductivity News

Su-Huai Wei - Team Leader

Photo of Su-Huai Wei
phone: 303-384-6666
email: Suhuai_Wei@nrel.gov
At NREL since 1985

Dr. Su-Huai Wei is a Principal Scientist in the Center for Basic Sciences at NREL and the team leader for Computational Materials Science. He received a B.S. in Physics from Fudan University, Shanghai, China, in 1981 and a Ph.D. in Physics from the College of William and Mary in Virginia in 1985. He joined NREL in 1985.

His current research is focused on developing first-principles electronic structure theory of solids, which includes studying:

  • Electronic structures and stabilities of alloys, superlattices. and interfaces
  • Magnetic properties of semiconductors
  • Optoelectronic properties of photovoltaic and light-emitting materials
  • Electronic properties of organic and hybrid semiconductors
  • Defect physics in semiconductors and quantum dots
  • Hydrogen storage materials.

He has published more than 210 peer-reviewed papers, including more than 50 articles in Physical Review Letters and Physical Review Rapid Communications. His papers have been cited more than 6,000 times. Since 1999, he has been a Fellow of the American Physical Society.

Selected Publications

  1. S.-H. Wei, "Overcoming the doping bottleneck in semiconductors," Computational Materials Science 30, 337 (2004).
  2. S.-H. Wei and A. Zunger, "Giant and composition dependent optical bowing coefficient in GaAsN alloy," Physical Review Letters 76, 664 (1996).
  3. S.-H. Wei and A. Zunger, "Role of metal d states in II-VI semiconductors," Physical Review B 37, 8958 (1988).
  4. S.-H. Wei and A. Zunger, "Total energy and band structure calculation for the semimagnetic  Cd1-xMnxTe semiconductor alloy and its binary constituents," Physical Review B 35, 8958 (1988).
  5. S.-H. Wei and H. Krakauer, "Local-density-functional calculations of pressure-induced metalization of BaSe and BaTe," Physical Review Letters 55, 1200 (1985).

NREL Publications

View NREL publications for this staff member.

Other Team Members

Su-Huai Wei

Juarez L.F. DaSilva

Yong-Hyun Kim

Jingbo Li

Yiyang Sun

Aron Walsh

Damien West

Lixin Zhang

Shengbai Zhang

Yufeng Zhao