activity
20002019
most citedMolecular dynamics simulation of melting of finite and infinite size silicene

16 citations · 43 across the 14 of their papers we have counts for

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Showing 2017Show all

7 papers · 1 filter

cond-mat.mtrl-sci2017

Effects of atoms and molecules adsorption on electronic and magnetic properties of s-triazine with embedded Fe atom: DFT investigations

Yusuf Zuntu Abdullahi, Tiem Leong Yoon, Mohd Mahadi Halim +2

We employ first-principles calculations to study the mechanical, geometrical, electronic and magnetic properties of Fe atom embedded s-triazine (@${\mathrm C_6}{\mathr…

cond-mat.mtrl-sci2017

First-principles investigation of graphitic carbon nitride monolayer with embedded Fe atom

Yusuf Zuntu Abdullahi, Tiem Leong Yoon, Mohd Mahadi Halim +2

Density-functional theory calculations with spin-polarized generalized gradient approximation and Hubbard correction is carried out to investigate the mechanical, structural, e…

cond-mat.mtrl-sci2017

Adsorption of atoms and molecules on s-triazine sheet with embedded manganese atom: First-principles calculations

Yusuf Zuntu Abdullahi, Tiem Leong Yoon, Mohd Mahadi Halim +3

The mechanical, structural, electronic and magnetic properties of s-triazine sheet (C6N6) with embedded Mn atom (Mn-C6N6) is investigated under the influence of external environmen…

cond-mat.mtrl-sci2017

Theoretical studies on mechanical and electronic properties of -triazine sheet

Yusuf Zuntu Abdullahi, Tiem Leong Yoon, Mohd Mahadi Halim +2

Mechanical and electronic properties of -triazine are studied using first-principles calculations based on density functional theory. The in-plane stiffness and bulk modulus for…

cond-mat.supr-con2017

Theory of d-wave high temperature superconductivity in the cuprates involving non-linear lattice modes

B. S. Lee, T. L. Yoon, R. Abd-Shukor

The transition mechanism in high temperature cuprate superconductors is an outstanding puzzle. A previous suggestion on the role of non-linear local lattice instability modes on th…

cond-mat.mtrl-sci2017

Effects of Hubbard term correction on the structural parameters and electronic properties of wurtzite Zn

E. S. Goh, J. W. Mah, T. L. Yoon

The effects of including the Hubbard on-site Coulombic correction to the structural parameters and valence energy states of wurtzite ZnO was explored. Due to the changes in the str…