Alex Zunger

Research.com Recognitions

• 2015 - Fellow of the Materials Research Society For transforming density functional formalism into a practical framework for predicting the material properties of bulk, alloys, nanostructures, photovoltaic materials and defects, leading to an “inverse design” of new materials.
• 2011 - Materials Theory Award, Materials Research Society For his development of the inverse band structure approach to materials by design and the foundational developments of methods of first-principles theory of solids, leading to innovative and transformative studies of renewable-energy materials and nanostructures.
• 2001 - Aneesur Rahman Prize for Computational Physics, American Physical Society
• 1999 - Fellow of American Physical Society (APS) Citation For his work on the theoretical basis for firstprinciples electronic structure theory of materials, and for its imaginative use in the advancement of our knowledge of alloys, nanostructures and prediction of new materials

Overview

Best Publications

• Self-interaction correction to density-functional approximations for many-electron systems

  John P. Perdew;Alex Zunger

  24952
  Citations

• Special quasirandom structures.

  Alex Zunger;S.-H. Wei;L. G. Ferreira;James E. Bernard

  3998
  Citations

• Intrinsic n -type versus p -type doping asymmetry and the defect physics of ZnO

  S. B. Zhang;S.-H. Wei;Alex Zunger

  2380
  Citations

• Momentum-space formalism for the total energy of solids

  J Ihm;A Zunger;M L Cohen

  1850
  Citations

• Defect physics of the CuInSe 2 chalcopyrite semiconductor

  S. B. Zhang;Su-Huai Wei;Alex Zunger;H. Katayama-Yoshida

  1691
  Citations

• Dopability, intrinsic conductivity, and nonstoichiometry of transparent conducting oxides.

  Stephan Lany;Alex Zunger

  1511
  Citations

• Zinc-blende-wurtzite polytypism in semiconductors.

  Chin-Yu Yeh;Z. W. Lu;S. Froyen;Alex Zunger

  1449
  Citations

• Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs

  Stephan Lany;Alex Zunger

  1415
  Citations

• Electronic properties of random alloys : special quasirandom structures

  S.-H. Wei;L. G. Ferreira;James E. Bernard;Alex Zunger

  1195
  Citations

• Calculated natural band offsets of all II–VI and III–V semiconductors: Chemical trends and the role of cation d orbitals

  Su-Huai Wei;Alex Zunger

  988
  Citations

• Theory of the band-gap anomaly in AB C 2 chalcopyrite semiconductors

  J. E. Jaffe;Alex Zunger

  905
  Citations

• Origins of coexistence of conductivity and transparency in SnO(2).

  Çetin Kılıç;Alex Zunger

  810
  Citations

• Identification of potential photovoltaic absorbers based on first-principles spectroscopic screening of materials.

  Liping Yu;Alex Zunger

  753
  Citations

• Role of metal d states in II-VI semiconductors

  S.-H. Wei;Alex Zunger

  751
  Citations

• Anion vacancies as a source of persistent photoconductivity in II-VI and chalcopyrite semiconductors

  Stephan Lany;Alex Zunger

  735
  Citations

• Predicted band-gap pressure coefficients of all diamond and zinc-blende semiconductors: Chemical trends

  Su-Huai Wei;Alex Zunger

  730
  Citations

• Giant and Composition-Dependent Optical Bowing Coefficient in GaAsN Alloys

  Su-Huai Wei;Alex Zunger

  699
  Citations

• Origins of the p -type nature and cation deficiency in Cu 2 O and related materials

  Hannes Raebiger;Stephan Lany;Alex Zunger

  629
  Citations

• Band offsets and optical bowings of chalcopyrites and Zn‐based II‐VI alloys

  Su‐Huai Wei;Alex Zunger

  608
  Citations

• Solving Schrodinger's equation around a desired energy : Application to silicon quantum dots

  Lin-Wang Wang;Alex Zunger

  604
  Citations