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Vol. 189, Issue 6, June 2015, pp. 162-166




Theoretical Study of Hydrogen- and Halide-Terminated Germanium Nanowires

1 Shanawer NIAZ, 2 Samia SLIMANI, 1 Manzoor Ahmad BADAR, 3 Gul SUBHAN, 4 Muhammad Aslam KHAN

1 Department of Physics, University of Sargodha, 40100, Sargodha, Pakistan
2 Department of Electronics, Faculty of Science, Moulay Tahar University, Saida, 20002, Algeria
3 Department of Physics, Allama Iqbal Open University, Sector H-8, Islamabad, 44000, Pakistan
4 Department of Physics, BUITEMS, Quetta, 87300, Pakistan
1 Tel.: + 92-321-6020309, fax: + 92-48-3222121

E-mail: shanawersi@gmail.com


Received: 3 May 2015 /Accepted: 3June 2015 /Published: 30 June 2015

Digital Sensors and Sensor Sysstems


Abstract: We present a density functional theory (DFT) study of ultra-thin finite hydrogen and halogen passivated germanium nanowires implies that surface effects significantly influence their structural, cohesive and electronic properties, which plays important role in the fabrication of nanodevices such as field effect transistors and sensors. We show that full coverage of halogen passivations i.e. with fluorine (F), chlorine (Cl) and bromine (Br) in particular, reduces the band gap of the [1 1 0] GeNWs drastically. Moreover, we find that, Halide-terminated especially chlorine and bromine terminated Ge nanowires show greater ambient stability with increasing molecular weight of the halogen species.


Keywords: Germanium nanowires, Surface passivants, Structural stability, Density functional theory (DFT), Halogen passivation, Cohesive energy, Binding energy.


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