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Electronic and Vibrational Properties of PbI 2 : From Bulk to Monolayer
Mehmet Yagmurcukardes, Francois M. Peeters, Hasan Sahin
Using first-principles calculations, we study the dependence of the electronic and vibrational properties of multi-layered PbI 2 crystals on the number of layers and focus on the e…
Stable Monolayer alpha-Phase of CdTe: Strain-Dependent Properties
Elif Unsal, Ramazan T. Senger, Hasan Sahin
CdTe is a well known and widely used binary compound for optoelectronic applications. In this study, we propose the thinnest, free standing monolayer of CdTe which holds the tetrag…
Thinning CsPb2Br5 Perovskite Down to Monolayers: Cs-dependent Stability
Fadil Iyikanat, Emre Sari, Hasan Sahin
Using first-principles density functional theory calculations, we systematically investigate the structural, electronic and vibrational properties of bulk and potential single-laye…
Quantum Transport Characteristics of Lateral pn-Junction of Single Layer TiS3
F. Iyikanat, R. T. Senger, F. M. Peeters +1
Using density functional theory and nonequilibrium Greens functions-based methods we investigated the electronic and transport properties of monolayer TiS3 pn-junction. We construc…
Electronic, Optical and Mechanical Properties of Silicene Derivatives
Mehmet Yagmurcukardes, Cihan Bacaksiz, Fadıl Iyikanat +4
Successful isolation of graphene from graphite opened a new era for material science and con- densed matter physics. Due to this remarkable achievement, there has been an immense i…
Computing Optical Properties of Ultra-thin Crystals
H. Sahin, E. Torun, C. Bacaksiz +4
An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2,…
Ag and Au Atoms Intercalated in Bilayer Heterostructures of Transition Metal Dichalcogenides and Graphene
F. Iyikanat, H. Sahin, R. T. Senger +1
The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the fra…
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…
Frictional figures of merit for single layered nanostructures
S. Cahangirov, C. Ataca, M. Topsakal +2
We determined frictional figures of merit for a pair of layered honeycomb nanostructures, such as graphane, fluorographene, MoS and WO moving over each other, by carrying o…
Graphene Nanomeshes: Existence of Defect-Induced Dirac Fermions on Graphene Host Matrix
Hasan Sahin, Salim Ciraci
Motivated by the state of the art method for fabricating high density periodic nanoscale defects in graphene, the structural, mechanical and electronic properties of defect-pattern…