Comparative study of the effect of the Hubbard coefficient U on the properties of TiO2 and ZnO

Author:

Fernández A.C. RossiORCID,Schvval A.B.,Jiménez M.J.ORCID,Cabeza G.F.ORCID,Morgade C.I.N.ORCID

Funder

Universidad Nacional del Sur

Universidad Tecnológica Nacional

Publisher

Elsevier BV

Subject

Materials Chemistry,Mechanics of Materials,General Materials Science

Reference39 articles.

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4. Self-consistent calculations of the energy bands and bonding properties of B12C3;Bylander;Phys. Rev. B,1990

5. New method for calculating wave functions in crystals and molecules;Phillips;Phys. Rev.,1959

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