49 citations · 349 across the 16 of their papers we have counts for
16 papers
Buckling effects in AlN monolayers: Shifting and enhancing optical characteristics from the UV to the near visible light range
Nzar Rauf Abdullah, Botan Jawdat Abdullah, Hunar Omar Rashid +1
The structural, electronic, and optical properties of flat and buckled AlN monolayers are investigated using first-principles approaches. The band gap of a flat AlN monolayer is ch…
Planar buckling controlled optical conductivity of SiC monolayer from Deep-UV to visible light region: A first-principles study
Nzar Rauf Abdullah, Hunar Omar Rashid, Botan Jawdat Abdullah +2
The electrical and optical properties of flat and planar buckled siligraphene (SiC) monolayer are examined using a first principles approach. Buckling between the Si and the C atom…
Role of planar buckling on the electronic, thermal, and optical properties of Germagraphene nanosheets
Nzar Rauf Abdullah, Yousif Hussein Azeez, Botan Jawdat Abdullah +3
We report the electronic, the thermal, and the optical properties of a Germagraphene (GeC) monolayer taking into account buckling effects. The relatively wide direct band gap of a…
Study of the buckling effects on the electrical and optical properties of the group III-Nitride monolayers
Nzar Rauf Abdullah, Botan Jawdat Abdullah, Hunar Omar Rashid +2
We consider electronic and optical properties of group III-Nitride monolayers using first-principle calculations. The group III-Nitride monolayers have flat hexagonal structures wi…
Modulation of electronic and thermal proprieties of TaMoS by controlling the repulsive interaction between Ta dopant atoms
Nzar Rauf Abdullah, Botan Jawdat Abdullah, Hunar Omar Rashid +2
We theoretically study the electronic and the thermal characteristics of Tantalum, Ta, doped Molybdenum disulfide, MoS, using density functional theory. It has been shown that…
Interaction effects in a two-dimensional AlSiP nanosheet: A first-principles study on the electronic, mechanical, thermal, and optical properties
Nzar Rauf Abdullah, Hunar Omar Rashid, Andrei Manolescu +1
Physical quilities such as electronic, mechanical, thermal, and optical properties of Al and P codoped silicene forming AlSiP nanosheets are investigated by first-principle cal…
Study of BCN-bilayer graphene: Effects of atomic spacing and interatomic interaction between B and N atoms
Nzar Rauf Abdullah, Hunar Omar Rashid, Vidar Gudmundsson
We study the effects of an attractive interaction between the boron (B) and the nitrogen (N) atoms doped in a bilayer graphene (BLG), BCN, on the electronic, the thermal and…
Role of interlayer spacing on electronic, thermal and optical properties of BN-codoped bilayer graphene:\break Influence of the interlayer and the induced dipole-dipole interactions
Nzar Rauf Abdullah, Hunar Omar Rashid, Chi-Shung Tang +2
We demonstrate that the electronic, thermal, and optical properties of a graphene bilayer with boron and nitrogen dopant atoms can be controlled by the interlayer distance between…
Conversion of the stacking orientation of bilayer graphene due to \break the interaction of BN-dopants
Nzar Rauf Abdullah, Hunar Omar Rashid, Chi-Shung Tang +2
A conversion of AA- to AB-stacking bilayer graphene (BLG) due to interlayer interaction is demonstrated. Two types of interlayer interactions, an attractive and a repulsive, betwee…
Spin-polarised DFT modeling of electronic, magnetic, thermal and optical properties of silicene doped with transition metals
Nzar Rauf Abdullah, Mohammad T. Kareem, Hunar Omar Rashid +2
The geometric, electronic, magnetic, thermal, and optical properties of transition metal (TM) doped silicene are systematically explored using spin-dependent density functional com…
Interlayer interaction controlling the properties of AB- and AA-stacked bilayer graphene-like BCN and SiC
Nzar Rauf Abdullah, Hunar Omar Rashid, Andrei Manolescu +1
We model bilayer graphene-like materials with SiC and BCN stoichiometry, where the interlayer interactions play important roles shaping the physical properties of…
Properties of BSiN monolayers derived by first-principle computation
Nzar Rauf Abdullah, Hunar Omar Rashid, Chi-Shung Tang +2
The buckling effects due to BN-bonds in BN-codoped silicene, BSiN, on structural stability, electronic band structure, and mechanical, thermal and optical properties are studie…
Electronic, thermal, and optical properties of graphene like SiC structures: Significant effects of Si atom configurations
Nzar Rauf Abdullah, Gullan Ahmed Mohammed, Hunar Omar Rashid +1
We investigate the electronic, thermal, and optical characteristics of graphene like SiC structure using model calculations based on density functional theory. The change in th…
Modeling electronic, mechanical, optical and thermal properties of graphene-like BCN materials: Role of prominent BN-bonds
Nzar Rauf Abdullah, Hunar Omar Rashid, Chi-Shung Tang +2
We model monolayer graphene-like materials with BCN stoichiometry where the bonding between the B and the N atoms plays an important role for their physical and chemical proper…
Effects of bonded and non-bonded B/N codoping of graphene on its stability,\break interaction energy, electronic structure, and power factor
Nzar Rauf Abdullah, Hunar Omar Rashid, Mohammad T. Kareem +3
We model boron and nitrogen doped/codoped monolayer graphene to study its stability, interaction energy, electronic and thermal properties using density functional theory. It is fo…
Silicon on a graphene nanosheet with triangle- and dot-shape: Electronic structure, specific heat, and thermal conductivity from first-principle calculations
Hunar Omar Rashid, Nzar Rauf Abdullah, Vidar Gudmundsson
The electronic structure, specific heat, and thermal conductivity of silicon embedded in a monolayer graphene nanosheet are studied using Density Functional Theory. Two different s…