Electronic Properties of Hydrogenated Single Walled GaAs Nanotubes

Jain, Siddharth; Srivastava, Anurag; Tyagi, Neha; Khare, Purnima Swarup

doi:10.1166/qm.2015.1183

Cited by 2 publications

(3 citation statements)

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“…In recent years, the compounds of the III–V group, due to the distinct characteristics of this particular group, have garnered the interest of many researchers [1–11]. The importance of Gallium Arsenide (GaAs) as a semiconductor with high speed is based on the high velocity of electrons (from 4.1 × 10 7 cm/s to 5 × 10 7 cm/s) and the high mobility of electrons (8500 cm 2 /Vs), in comparison to silicon with the speed of the electrons about 6 × 10 6 cm/s.…”

Section: Introductionmentioning

confidence: 99%

“…Liu et al have proposed high‐performance GaAs nanowire cathodes for photon‐enhanced thermionic emission solar converters [25]. Though numerous theoretical and experimental types of research have been done on GaAs [2–5, 7, 18], few types of research focus on the stabilities, structural, and electronic properties of DWGaAsNTs. As far as we know, no DFT studies have been performed on the structural and stability characteristics of DWGaAsNTs.…”

Section: Introductionmentioning

confidence: 99%

“…The stabilities, electronic properties, and geometric structures of single-walled GaAs nanotubes (SWGaAsNTs) and (GaAs) n tube-like clusters were studied by DFT methods [5]. The electronic properties of Hydrogenated Single-Walled GaAs Nanotubes have been investigated based on density functional theory by Sumit Kumar et al [7]. Because of cylindrical structures, GaAs nanotubes can exhibit various aspects of inter-wall interaction than GaAs sheets.…”

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Tuning inter‐wall spacing and structural properties of double‐walled gallium arsenide nanotubes

Nikbakhtian

Movlarooy

2023

Int J of Quantum Chemistry

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The structural, stability and electronic properties of double-walled GaAs nanotubes (DWGaAsNTs) are investigated based on density functional theory (DFT) by considering Van der Waals corrections with the SIESTA code. The computations are done on the zigzag (7,0)@(m,0) and (6,0)@(m,0) with (m = 12 to 18) and the armchair (4,4) @(m,m) and (5,5)@(m,m) DWGaAsNTs with (m = 7 to 14). The calculated binding and formation energies revealed that the armchair and zigzag DWGaAsNTs with differential chirality of 5, (m,m)@(m + 5,m + 5) and 8, (m,0)@(m + 8,0) and inter-layer space of roughly 5.4 and 4.9 Å are the most favorable DWGaAsNTs, respectively. All armchair and zigzag DWGaAsNTs are direct bandgap semiconductors according to the electronic band structure. Furthermore, it is found that with increasing the spaces between walls and diameters of the tubes, the value of the band gap increases, and the changing trend is almost constant at greater distances between walls. Also, the double-walled GaAs nanotubes have a narrower bandgap than single-walled nanotubes. The implications of this research can certainly be useful in future empirical studies.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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