activity
19952019
most citedPerformance of the modified Becke-Johnson potential

269 citations · 374 across the 21 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

7 papers · 1 filter

cond-mat.mtrl-sci2012

Metallic behavior at YBaCuO7/ZAs interfaces (Z=Ga, Al)

R. Torres, R. Baquero

We present the electronic band structure of the interfaces (direct gap) and (indirect gap) in different configurations calculated using the…

cond-mat.mtrl-sci2012★ 269 cited

Performance of the modified Becke-Johnson potential

J. A. Camargo-Martinez, R. Baquero

Very recently, in the 2011 version of the Wien2K code, the long standing shortcome of the codes based on Density Functional Theory, namely, its impossibility to account for the exp…

cond-mat.mtrl-sci2011★ 6 cited

The modified Becke-Johnson potential analyzed

J. A. Camargo, R. Baquero

Recently in the Wien2k code, the modified Becke-Johnson potential (mBJLDA) was implemented. As the authors [{\em Phys.Rev.Lett.} 102, 226401 (2009)] point, this potential reproduce…

cond-mat.mtrl-sci2005

(100) ideal-surface band structure for the series of Cu-based chalcopyrites

H. Tototzintle-Huitle, R. Baquero

We use the Surface Green Function Matching (SGFM) method and a tight-binding hamiltonian to calculate the (100)-surface electronic band structure and local density of states of the…

cond-mat.mtrl-sci2005

Influence of distortion on the electronic band structure of CuInSe2

H. Tototzintle-Huitle, J. Otalora, J. A. Rodriguez +1

We present a tight-binding calculation of the influence of distorsion on the bulk electronic structure of the chalcopyrite CuInSe2. We calculate the ideal case and then the effect…

cond-mat.mtrl-sci2000

Ferromagnetism in a (001), (110), and (111)-oriented Ru mololayer on Ag, Au, and Cu-substrates

L. M. Garcia-Cruz, A. V. Gaftoi, A. Rubio-Ponce +2

We have studied the magnetic behavior of a 4d transition metal Ru monolayer (ML) on different substrates and orientations. In the ground state, a Ru-ML is expected to be ferromagne…