Výsledky vyhledávání - "Ferreira, Luiz G."

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An alloy calculation of pure antiferromagnetic NiO

Autor: Ferreira, Luiz G.

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 ground state and the possibility of obtaining ferrimagnetic configurati

Externí odkaz: http://arxiv.org/abs/1506.05778

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Band structure of NiO revisited

Autor: Ferreira, Luiz G., Teles, Lara K., Marques, Marcelo

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 computational techniques well beyond the simple density functional theory and th

Externí odkaz: http://arxiv.org/abs/0910.4485

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Anomalous Lattice Parameter of Magnetic Semiconductor Alloys

Autor: Caetano, Clovis, Ferreira, Luiz G., Marques, Marcelo, Teles, Lara K.

The addition of transition metals (TM) to III-V semiconductors radically changes their electronic, magnetic and structural properties. In contrast to the conventional semiconductor alloys, the lattice parameter in magnetic semiconductor alloys, inclu

Externí odkaz: http://arxiv.org/abs/0902.4368

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An approximation to density functional theory for an accurate calculation of band-gaps of semiconductors

Autor: Ferreira, Luiz G., Marques, Marcelo, Teles, Lara K.

The local-density approximation (LDA), together with the half-occupation (transition state) is notoriously successful in the calculation of atomic ionization potentials. When it comes to extended systems, such as a semiconductor infinite system, it h

Externí odkaz: http://arxiv.org/abs/0808.0729

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

Autor: Ferreira, Luiz G., Wolverton, C., Zunger, Alex

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 identifying a cancellation of errors: We show that the CVM produces correl

Externí odkaz: http://arxiv.org/abs/cond-mat/9801080

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