49 citations · 349 across the 16 of their papers we have counts for
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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…