Modulating the electronic properties of germanium nanowiresvia applied strain and surface passivation

Literature Information

Publication Date 2013-02-22
DOI 10.1039/C3CP43530J
Impact Factor 3.676
Authors

Mahasin Alam Sk, Man-Fai Ng, Lin Huang, Kok Hwa Lim


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Abstract

We report a systematic study on the surface passivation and strain effects on the electronic properties of hydrogenated germanium nanowires (H-GeNWs) with different growth orientations and diameters using density functional theory calculations. We show that increasing the coverage percentage of halogen passivations – fluorine (F) and chlorine (Cl) in particular – reduces the band gap of the GeNWs drastically but not linearly, depending on the chemical environment of the passivation sites. Moreover, we find that in general, applying strain – either compression or tensile – can only induce a decreased band gap in GeNWs but exception is found in 〈110〉 GeNWs: an increased band gap can be induced which is determined to be related to their surface structures. The current work reveals that electronic response upon structural changes caused by external factors is more sensitive in 〈110〉 GeNWs than in 〈100〉 GeNWs, suggesting that GeNWs with selected growth orientation can be applied in specialized applications that require different degrees of sensitivity or robustness.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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