3.4k citations · 6.8k across the 7 of their papers we have counts for
5 papers · 1 filter
Unconventional band structure via combined molecular orbital and lattice symmetries in a surface-confined metallated graphdiyne sheet
Ignacio Piquero-Zulaica, Wenqi Hu, Ari Paavo Seitsonen +13
Graphyne (GY) and graphdiyne (GDY)-based materials represent an intriguing class of two-dimensional (2D) carbon-rich networks with tunable structures and properties surpassing thos…
Effects of the Substitutions and Vacany Defects on the Stable monolayer structures of Black and Blue Arsenic Phosphorus: A First Principles Study
Zhaleh Benam, Handan Arkin, Ethem Akturk
We investigate two dimensional monolayer structures of arsenic phosphorus ( AsP) by means of first principles plane wave method within density functional theory using the generaliz…
Mechanical and Electronic Properties of MoS Nanoribbons and Their Defects
C. Ataca, H. Şahin, E. Aktürk +1
We present our study on atomic, electronic, magnetic and phonon properties of one dimensional honeycomb structure of molybdenum disulfide (MoS) using first-principles plane wav…
Monolayer honeycomb structures of group IV elements and III-V binary compounds
Hasan Sahin, S. Cahangirov, M. Topsakal +4
Using first-principles plane wave calculations, we investigate two dimensional honeycomb structure of Group IV elements and their binary compounds, as well as the compounds of Grou…
Two and one-dimensional honeycomb structures of silicon and germanium
Seymur Cahangirov, Mehmet Topsakal, Ethem Akturk +2
Based on first-principles calculations of structure optimization, phonon modes and finite temperature molecular dynamics, we predict that silicon and germanium have stable, two-dim…