output
19942026
most citedNew Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides

1.8k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 1998 · cond-mat.mtrl-sciShow all

5 papers · 2 filters

cond-mat.mtrl-sci1998

Coulomb interaction in a quantum dot

Lin-Wang Wang

One approximation is made to describe a M+1 electron many-body wavefunction by a M electron many-body wavefunction and a single electron wavefunction. Under this approximation, we…

cond-mat.mtrl-sci1998★ 30 cited

Comment on "Quantum Confinement and Optical Gaps in Si Nanocrystals"

Alberto Franceschetti, Lin-Wang Wang, Alex Zunger

We show that the method used by Ogut, Chelikowsky and Louie (Phys. Rev. Lett. 79, 1770 (1997)) to calculate the optical gap of Si nanocrystals omits an electron-hole polarization e…

cond-mat.mtrl-sci1998★ 35 cited

Prediction of a Strain Induced Conduction Band Minimum in Embedded Quantum Dots

A. J. Williamson, Alex Zunger, A. Canning

Free standing InP quantum dots have previously been theoretically and experimentally shown to have a direct band gap across a large range of experimentally accessible sizes. We dem…

cond-mat.mtrl-sci1998★ 140 cited

Cation- and vacancy-ordering in Li_xCoO_2

C. Wolverton, Alex Zunger

Using a combination of first-principles total energies, a cluster expansion technique, and Monte Carlo simulations, we have studied the Li/Co ordering in LiCoO_2 and Li-vacancy/Co…

cond-mat.mtrl-sci1998★ 20 cited

Evaluating and improving the cluster variation method entropy functional for Ising alloys

Luiz G. Ferreira, C. Wolverton, Alex Zunger

The success of the "Cluster Variation Method" (CVM) in reproducing quite accurately the free energies of Monte Carlo (MC) calculations on Ising models is explained in terms of iden…