528 citations · 566 across the 6 of their papers we have counts for
6 papers
An alloy calculation of pure antiferromagnetic NiO
Luiz G. Ferreira
We use the many techniques of alloy theory to study antiferromagnetic NiO, considered as an alloy of spin-up and spin-down Ni atoms. The questions are: the true antiferromagnetic g…
Some surprising results of the Kohn-Sham Density Functional
L. G. Ferreira, M. Marques, L. K. Teles +1
For some insulators we present a procedure to determine an electronic density leading to a lower energy than that of the Kohn-Sham ground state.
Band structure of NiO revisited
Luiz G. Ferreira, Lara K. Teles, Marcelo Marques
The band structure of a strongly correlated semiconductor as NiO has been the object of much debate [PRL 103, 036404 (2009); PRL 102, 226401 (2009)]. Most authors, using computatio…
Anomalous Lattice Parameter of Magnetic Semiconductor Alloys
Clovis Caetano, Luiz G. Ferreira, Marcelo Marques +1
The addition of transition metals (TM) to III-V semiconductors radically changes their electronic, magnetic and structural properties. In contrast to the conventional semiconductor…
An approximation to density functional theory for an accurate calculation of band-gaps of semiconductors
Luiz G. Ferreira, Marcelo Marques, Lara K. Teles
The local-density approximation (LDA), together with the half-occupation (transition state) is notoriously successful in the calculation of atomic ionization potentials. When it co…
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…