Author pages are created from data sourced from our academic publisher partnerships and public sources.

Publications Influence

Share This Author

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

exchange and correlation, are not. We present two related methods for the self-interaction correction (SIC) of any density functional for the energy; correction of the self-consistent one-electron… Expand

Cylindrically shaped zinc-blende semiconductor quantum dots do not have cylindrical symmetry: Atomistic symmetry, atomic relaxation, and piezoelectric effects

Self-assembled quantum dots are often modeled by continuum models seffective mass or k ·pd that assume the symmetry of the dot to be that of its overall geometric shape. Lens-shaped or conical dots… Expand

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

- Shengbai Zhang, Suhuai Wei, A. Zunger
- Materials Science
- 31 January 2001

ZnO typifies a class of materials that can be doped via native defects in only one way: either n type or p type. We explain this asymmetry in ZnO via a study of its intrinsic defect physics,… Expand

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

Contemporary theories of defects and impurities in semiconductors rely to a large extent on supercell calculations within density-functional theory using the approximate local-density approximation… Expand

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

Using first-principles electronic structure calculations we identify the anion vacancies in II-VI and chalcopyrite Cu-III-VI2 semiconductors as a class of intrinsic defects that can exhibit… Expand

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

TLDR

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

- Suhuai Wei, A. Zunger
- Materials Science
- 15 September 1995

Using first‐principles band‐structure theory we have systematically calculated the (i) alloy bowing coefficients, (ii) alloy mixing enthalpies, and (iii) interfacial valence‐ and conduction‐band… Expand

Light- and bias-induced metastabilities in Cu(In,Ga)Se2 based solar cells caused by the (VSe-VCu) vacancy complex

We investigate theoretically light- and bias-induced metastabilities in Cu(In,Ga)Se2 (CIGS) based solar cells, suggesting the Se–Cu divacancy complex (VSe-VCu) as the source of this hitherto puzzling… Expand

Defect physics of the CuInSe 2 chalcopyrite semiconductor

- Shengbai Zhang, Suhuai Wei, A. Zunger, H. katayama-Yoshida
- Materials Science
- 15 April 1998

We studied the defect physics in ${\mathrm{CuInSe}}_{2},$ a prototype chalcopyrite semiconductor. We showed that (i) it takes much less energy to form a Cu vacancy in ${\mathrm{CuInSe}}_{2}$ than to… Expand

Effects of Ga addition to CuInSe2 on its electronic, structural, and defect properties

- Suhuai Wei, Shengbai Zhang, A. Zunger
- Materials Science
- 9 June 1998

Using a first-principles band structure method we have theoretically studied the effects of Ga additions on the electronic and structural properties of CuInSe2. We find that (i) with increasing xGa,… Expand

...

1

2

3

4

5

...