8 papers
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…
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…
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…