349 citations · 644 across the 10 of their papers we have counts for
10 papers
Stability of adsorption of Mg and Na on sulfur-functionalized MXenes
G. Chaney, D. Çakır, F. M. Peeters +1
Two-dimensional materials composed of transition metal carbides and nitrides (MXenes) are poised to revolutionize energy conversion and storage. In this work, we used density funct…
Silicene Like Domains on IrSi3 Crystallites
Dylan Nicholls, Fatima, Deniz Çakır +1
Recently, silicene, the graphene equivalent of silicon, has attracted a lot of attention due to its compatibility with Si-based electronics. So far, silicene has been epitaxy grown…
Gate induced monolayer behavior in twisted bilayer black phosphorus
Cem Sevik, John R. Wallbank, Oguz Gulseren +2
Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of dens…
Distinct Correlation between the Vibrational and Thermal Transport Properties of Group \textrm{VA} Monolayer Crystals
Tugbey Kocabas, Deniz Cakir, Oguz Gulseren +3
The investigation of thermal transport properties of novel two dimensional materials is crucially important in order to assess their potential to be used in future technological ap…
Piezoelectricity in two-dimensional materials: a comparative study between lattice dynamics and ab-initio calculations
K. H. Michel, D. Cakır, C. Sevik +1
Elastic constant C_{11} and piezoelectric stress constant e_{1,11} of two-dimensional (2D) dielectric materials comprising h-BN, 2H MoS2 and other transition metal dichalcogenides…
Remarkable effect of stacking on the electronic and optical properties of few layer black phosphorus
Deniz Cakir, Cem Sevik, Francois M. Peeters
The effect of the number of stacking layers and the type of stacking on the electronic and optical properties of bilayer and trilayer black phosphorus are investigated by using fir…
Tuning of the electronic and optical properties of single layer black phosphorus by strain
Deniz Çakır, Hasan Sahin, François M. Peeters
Using first principles calculations we showed that the electronic and optical properties of single layer black phosphorus (BP) depend strongly on the applied strain. Due to the str…
Magnetoresistance in multilayer fullerene spin valves: a first-principles study
Deniz Çakır, Diana M. Otálvaro, Geert Brocks
Carbon-based molecular semiconductors are explored for application in spintronics because their small spin-orbit coupling promises long spin life times. We calculate the electronic…
From spin-polarized interfaces to giant magnetoresistance in organic spin valves
Deniz Çakır, Diana M. Otálvaro, Geert Brocks
We calculate the spin-polarized electronic transport through a molecular bilayer spin valve from first principles, and establish the link between the magnetoresistance and the spin…
Half-metallic silicon nanowires
Engin Durgun, Deniz Cakir, Nurten Akman +1
From first-principles calculations, we predict that transition metal (TM) atom doped silicon nanowires have a half-metallic ground state. They are insulators for one spin-direction…