102 citations · 247 across the 6 of their papers we have counts for
6 papers
Boron Spectral Density and Disorder Broadening in B-doped Diamond
K. -W. Lee, W. E. Pickett
Comparison of periodic B dopants with a random alloy of substitional boron in diamond is carried out using several supercells and the coherent potential approximation (CPA) for the…
Disproportionation and Critical Interaction Strength in NaCoO: Concentration Dependence
K. -W. Lee, W. E. Pickett
We present results of studies of charge disproportionation (CD) and spin differentiation in NaCoO using the correlated band theory approach (local-density approximation+Hub…
Crystal Symmetry, Electron-Phonon Coupling, and Superconducting Tendencies in LiPdB and LiPtB
K. -W. Lee, W. E. Pickett
After theoretical determination of the internal structural coordinates in LiPdB, we calculate and analyze its electronic structure and obtain the frequencies of the two $A_…
NaCoO in the x -> 0 Regime: Coupling of Structure and Correlation effects
K. -W. Lee, W. E. Pickett
The study of the strength of correlations in NaCoO is extended to the x=0 end of the phase diagram where Mott insulating behavior has been widely anticipated. Inclusion of…
On Heavy Carbon Doping of MgB
Deepa Kasinathan, K. -W. Lee, W. E. Pickett
Heavy carbon doping of MgB is studied by first principles electronic structure studies of two types, an ordered supercell (Mg(BC),x=0.0833) and also the coh…
Disproportionation Transition at Critical Interaction Strength: NaCoO
K. -W. Lee, J. Kunes, P. Novak +1
Charge disproportionation (CD) and spin differentiation in NaCoO are studied using the correlated band theory approach. The simultaneous CD and gap opening seen previou…