Jairo Arbey Rodríguez Mártinez
YOU?
Author Swipe
View article: First-Principles Studies of the Electronic and Optical Properties of Two-Dimensional Arsenic–Phosphorus (2D As–P) Compounds
First-Principles Studies of the Electronic and Optical Properties of Two-Dimensional Arsenic–Phosphorus (2D As–P) Compounds Open
In this work, we propose the construction of a two-dimensional system based on the stable phases previously reported for the 2D arsenic and phosphorus compounds, with hexagonal and orthorhombic symmetries. Therefore, we have modeled one he…
View article: The influence of pressure on the structural and electronic properties of Bi
The influence of pressure on the structural and electronic properties of Bi Open
Calculation of the structural and electronic properties of Bi was carried out in the framework of density functio- nal theory (DFT). The graphs of energy vs. volume for some possible structures show that the most stable one is the rhombohe…
View article: Theoretical study of structural stability and electronic properties of Sr2MnSbO6 perovskite
Theoretical study of structural stability and electronic properties of Sr2MnSbO6 perovskite Open
Structural and electronic properties of the Sr2MnSbO6 perovskite in cubic (Fm-3m) and tetragonal (I4m and P/4mnc) crystallographic phases have been determined using the Full Potential Linearized. Augmented Plane Waves (FP-LAPW) method, in …
View article: Electronic Structure of Graphene on the Hexagonal Boron Nitride Surface: A Density Functional Theory Study
Electronic Structure of Graphene on the Hexagonal Boron Nitride Surface: A Density Functional Theory Study Open
Poor electron-related cutting current in graphene-based field-effect transistors (FETs) can be solved by placing a graphene layer over a hexagonal boron nitride (BN) substrate, as established by Giovannetti et al. and other researchers. In…
View article: Electric, magnetic and microstructural features of the La2<b>CoFeO</b>6 lanthanide ferrocobaltite obtained by the modified Pechini route
Electric, magnetic and microstructural features of the La2<b>CoFeO</b>6 lanthanide ferrocobaltite obtained by the modified Pechini route Open
In the search for new materials with applicable magnetic properties in spintronic devices, the aim of this work is to report the synthesis of the lanthanide ferrocobaltite La 2 CoFeO 6 using the modified Pechini route; the experimental stu…
View article: First-principles calculations of structural and electronics properties of YInN alloy
First-principles calculations of structural and electronics properties of YInN alloy Open
We study the structural and electronic properties of YxIn1-xN in the concentrations x = 0, ¼, ½, ¾, and 1 in the B1, B2, B3 and B4 structures using density functional theory (DFT). The calculations show that for Y0.75In0.25N, the B1 struct…
View article: Mott insulator behavior in the yttrium-based antimoniate oxide Ba2YSbO6
Mott insulator behavior in the yttrium-based antimoniate oxide Ba2YSbO6 Open
A careful experimental and theoretical study of the double perovskite type material Ba2YSbO6 is reported. The results show that this yttrium-based antimoniate oxide crystallizes in a cubic structure, Fm3¯m (#225) space group, with evidence…
View article: DFT applied to the study of carbon-doped zinc-blende (cubic) GaN
DFT applied to the study of carbon-doped zinc-blende (cubic) GaN Open
Employing first principles within the framework of density functional theory, the structural properties, electronic structure, and magnetism of C-doped zincblende (cubic) GaN were investigated. The calculations were carried out using the p…
View article: First-principles study on the formation energies of Ga<sub>1</sub>_<sub>x</sub>Cr<sub>x</sub>As
First-principles study on the formation energies of Ga<sub>1</sub>_<sub>x</sub>Cr<sub>x</sub>As Open
The electronic structure and formation energy of the Ga1-xCrxAs compound has been studied by principles of methods based on the Density Functional Theory. The formation energy of the compound is calculated, as well as the vacancies and sub…
View article: The most stable mono-layers of (111)-Pt (fcc) on Graphene: A first-principles GGA study
The most stable mono-layers of (111)-Pt (fcc) on Graphene: A first-principles GGA study Open
We investigate monolayers of planes (111) of Pt in the FCC structure located on graphene. The energy of formation showed that the most stable structure is √3×√3 — Pt on 2 × 2 — graphene. This system has a mismatch in the lattice constant o…
View article: Research of the structural and electronic properties of VN/AlN/VN and AlN/VN/AlN based on DFT calculation
Research of the structural and electronic properties of VN/AlN/VN and AlN/VN/AlN based on DFT calculation Open
We investigated the structural, electronic, and magnetic properties of AlN/VN/AlN and VN/AlN/VN interlayers in the wurtzite structure, via first-principles calculations using the psuedopotential method within density functional theory (DFT…
View article: First principles study of structural, electronic and magnetic properties of magnesium
First principles study of structural, electronic and magnetic properties of magnesium Open
We investigated the structural, electronic, and magnetic properties of Mg, in the CS (simple cubic), NiAs (Nickel arsenide), FCC (rock-salt), R (Rhombohedral), Diamond and WZ (wurtzite) phases. Calculations were performed using the first-p…
View article: Theoretical investigation of GaN carbon doped
Theoretical investigation of GaN carbon doped Open
In this work we used first principles calculations in the frame of density functional theory (DFT) in order to study the structural and electronic properties of GaN doped with carbon. The computational calculations were carried out by a me…
View article: First-Principles Investigation Of The Structural And Electronic Properties Of Mg1-Xbixo
First-Principles Investigation Of The Structural And Electronic Properties Of Mg1-Xbixo Open
We investigated the structure and electronic properties of the compound Mg1-xBixO with varying concentrations of 0, ¼, ½, and ¾ x bismuth in the the cesium chloride (CsCl), zinc-blende (ZnS), nickel arsenide (NiAs) NaCl (rock-salt) and WZ …