1.
Perim, E; Paupitz, R; Botari, T; Galvao, DS
One-dimensional silicon and germanium nanostructures with no carbon analogues Journal Article
In: Physical Chemistry Chemical Physics, vol. 16, no. 44, pp. 24570–24574, 2014.
@article{perim2014one,
title = {One-dimensional silicon and germanium nanostructures with no carbon analogues},
author = {Perim, E and Paupitz, R and Botari, T and Galvao, DS},
url = {http://pubs.rsc.org/en/content/articlehtml/2014/cp/c4cp03708a},
year = {2014},
date = {2014-01-01},
journal = {Physical Chemistry Chemical Physics},
volume = {16},
number = {44},
pages = {24570--24574},
publisher = {Royal Society of Chemistry},
abstract = {In this work we report new silicon and germanium tubular nanostructures with no corresponding stable carbon analogues. The electronic and mechanical properties of these new tubes were investigated through ab initio methods. Our results show that these structures have lower energy than their corresponding nanoribbon structures and are stable up to high temperatures (500 and 1000 K, for silicon and germanium tubes, respectively). Both tubes are semiconducting with small indirect band gaps, which can be significantly altered by both compressive and tensile strains. Large bandgap variations of almost 50% were observed for strain rates as small as 3%, suggesting their possible applications in sensor devices. They also present high Young's modulus values (0.25 and 0.15 TPa, respectively). TEM images were simulated to help in the identification of these new structures.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In this work we report new silicon and germanium tubular nanostructures with no corresponding stable carbon analogues. The electronic and mechanical properties of these new tubes were investigated through ab initio methods. Our results show that these structures have lower energy than their corresponding nanoribbon structures and are stable up to high temperatures (500 and 1000 K, for silicon and germanium tubes, respectively). Both tubes are semiconducting with small indirect band gaps, which can be significantly altered by both compressive and tensile strains. Large bandgap variations of almost 50% were observed for strain rates as small as 3%, suggesting their possible applications in sensor devices. They also present high Young's modulus values (0.25 and 0.15 TPa, respectively). TEM images were simulated to help in the identification of these new structures.
2.
Perim, Eric; Paupitz, Ricardo; Botari, Tiago; Galvao, Douglas S
Novel Semiconducting Silicon and Germanium Nanotubes Journal Article
In: arXiv preprint arXiv:1403.2061, 2014.
@article{perim2014novel,
title = {Novel Semiconducting Silicon and Germanium Nanotubes},
author = {Perim, Eric and Paupitz, Ricardo and Botari, Tiago and Galvao, Douglas S},
url = {http://arxiv.org/abs/1403.2061},
year = {2014},
date = {2014-01-01},
journal = {arXiv preprint arXiv:1403.2061},
abstract = {In this work we report new silicon and germanium nanotube structures, with no corresponding
stable carbon analogues and which cannot be described by integer chiral indices. The electronic
and mechanical properties of these new tubes were investigated through ab initio methods. Our
results show that the structures are stable up to high temperatures (500 and 1000 K, for silicon and
germanium tubes, respectively). Both tubes are semiconducting with small indirect band gaps,
which can be significantly altered by both compressive and tensile strains. They also present high
Young modulus values (0.25 and 0.15 TPa, respectively).},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In this work we report new silicon and germanium nanotube structures, with no corresponding
stable carbon analogues and which cannot be described by integer chiral indices. The electronic
and mechanical properties of these new tubes were investigated through ab initio methods. Our
results show that the structures are stable up to high temperatures (500 and 1000 K, for silicon and
germanium tubes, respectively). Both tubes are semiconducting with small indirect band gaps,
which can be significantly altered by both compressive and tensile strains. They also present high
Young modulus values (0.25 and 0.15 TPa, respectively).
stable carbon analogues and which cannot be described by integer chiral indices. The electronic
and mechanical properties of these new tubes were investigated through ab initio methods. Our
results show that the structures are stable up to high temperatures (500 and 1000 K, for silicon and
germanium tubes, respectively). Both tubes are semiconducting with small indirect band gaps,
which can be significantly altered by both compressive and tensile strains. They also present high
Young modulus values (0.25 and 0.15 TPa, respectively).
3.
Rurali, R; Cartoixa, X; Galvao, DS
Large electromechanical response in silicon nanowires predicted from first-principles electronic structure calculations Journal Article
In: Physical Review B, vol. 77, no. 7, pp. 073403, 2008.
@article{rurali2008large,
title = {Large electromechanical response in silicon nanowires predicted from first-principles electronic structure calculations},
author = {Rurali, R and Cartoixa, X and Galvao, DS},
url = {http://journals.aps.org/prb/abstract/10.1103/PhysRevB.77.073403},
year = {2008},
date = {2008-01-01},
journal = {Physical Review B},
volume = {77},
number = {7},
pages = {073403},
publisher = {American Physical Society},
abstract = {We study by means of first-principles electronic structure calculations the electromechanical response, i.e., the structural modifications upon charge injection, of ⟨100⟩ silicon nanowires. We show that, at variance with sp2 carbon nanostructures, the response is remarkably linear, discriminates between injected charge of different signs, and is up to one order of magnitude larger than in carbon nanotubes.
},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
We study by means of first-principles electronic structure calculations the electromechanical response, i.e., the structural modifications upon charge injection, of ⟨100⟩ silicon nanowires. We show that, at variance with sp2 carbon nanostructures, the response is remarkably linear, discriminates between injected charge of different signs, and is up to one order of magnitude larger than in carbon nanotubes.
2014
3.
Perim, E; Paupitz, R; Botari, T; Galvao, DS
One-dimensional silicon and germanium nanostructures with no carbon analogues Journal Article
In: Physical Chemistry Chemical Physics, vol. 16, no. 44, pp. 24570–24574, 2014.
Abstract | Links | BibTeX | Tags: DFT, Germanium, Nanotubes, Silicon
@article{perim2014one,
title = {One-dimensional silicon and germanium nanostructures with no carbon analogues},
author = {Perim, E and Paupitz, R and Botari, T and Galvao, DS},
url = {http://pubs.rsc.org/en/content/articlehtml/2014/cp/c4cp03708a},
year = {2014},
date = {2014-01-01},
journal = {Physical Chemistry Chemical Physics},
volume = {16},
number = {44},
pages = {24570--24574},
publisher = {Royal Society of Chemistry},
abstract = {In this work we report new silicon and germanium tubular nanostructures with no corresponding stable carbon analogues. The electronic and mechanical properties of these new tubes were investigated through ab initio methods. Our results show that these structures have lower energy than their corresponding nanoribbon structures and are stable up to high temperatures (500 and 1000 K, for silicon and germanium tubes, respectively). Both tubes are semiconducting with small indirect band gaps, which can be significantly altered by both compressive and tensile strains. Large bandgap variations of almost 50% were observed for strain rates as small as 3%, suggesting their possible applications in sensor devices. They also present high Young's modulus values (0.25 and 0.15 TPa, respectively). TEM images were simulated to help in the identification of these new structures.},
keywords = {DFT, Germanium, Nanotubes, Silicon},
pubstate = {published},
tppubtype = {article}
}
In this work we report new silicon and germanium tubular nanostructures with no corresponding stable carbon analogues. The electronic and mechanical properties of these new tubes were investigated through ab initio methods. Our results show that these structures have lower energy than their corresponding nanoribbon structures and are stable up to high temperatures (500 and 1000 K, for silicon and germanium tubes, respectively). Both tubes are semiconducting with small indirect band gaps, which can be significantly altered by both compressive and tensile strains. Large bandgap variations of almost 50% were observed for strain rates as small as 3%, suggesting their possible applications in sensor devices. They also present high Young's modulus values (0.25 and 0.15 TPa, respectively). TEM images were simulated to help in the identification of these new structures.
2.
Perim, Eric; Paupitz, Ricardo; Botari, Tiago; Galvao, Douglas S
Novel Semiconducting Silicon and Germanium Nanotubes Journal Article
In: arXiv preprint arXiv:1403.2061, 2014.
Abstract | Links | BibTeX | Tags: DFT, Germanium, Nanotubes, Silicon
@article{perim2014novel,
title = {Novel Semiconducting Silicon and Germanium Nanotubes},
author = {Perim, Eric and Paupitz, Ricardo and Botari, Tiago and Galvao, Douglas S},
url = {http://arxiv.org/abs/1403.2061},
year = {2014},
date = {2014-01-01},
journal = {arXiv preprint arXiv:1403.2061},
abstract = {In this work we report new silicon and germanium nanotube structures, with no corresponding
stable carbon analogues and which cannot be described by integer chiral indices. The electronic
and mechanical properties of these new tubes were investigated through ab initio methods. Our
results show that the structures are stable up to high temperatures (500 and 1000 K, for silicon and
germanium tubes, respectively). Both tubes are semiconducting with small indirect band gaps,
which can be significantly altered by both compressive and tensile strains. They also present high
Young modulus values (0.25 and 0.15 TPa, respectively).},
keywords = {DFT, Germanium, Nanotubes, Silicon},
pubstate = {published},
tppubtype = {article}
}
In this work we report new silicon and germanium nanotube structures, with no corresponding
stable carbon analogues and which cannot be described by integer chiral indices. The electronic
and mechanical properties of these new tubes were investigated through ab initio methods. Our
results show that the structures are stable up to high temperatures (500 and 1000 K, for silicon and
germanium tubes, respectively). Both tubes are semiconducting with small indirect band gaps,
which can be significantly altered by both compressive and tensile strains. They also present high
Young modulus values (0.25 and 0.15 TPa, respectively).
stable carbon analogues and which cannot be described by integer chiral indices. The electronic
and mechanical properties of these new tubes were investigated through ab initio methods. Our
results show that the structures are stable up to high temperatures (500 and 1000 K, for silicon and
germanium tubes, respectively). Both tubes are semiconducting with small indirect band gaps,
which can be significantly altered by both compressive and tensile strains. They also present high
Young modulus values (0.25 and 0.15 TPa, respectively).
2008
1.
Rurali, R; Cartoixa, X; Galvao, DS
Large electromechanical response in silicon nanowires predicted from first-principles electronic structure calculations Journal Article
In: Physical Review B, vol. 77, no. 7, pp. 073403, 2008.
Abstract | Links | BibTeX | Tags: DFT, Eletroactuation, Nanowires, Silicon
@article{rurali2008large,
title = {Large electromechanical response in silicon nanowires predicted from first-principles electronic structure calculations},
author = {Rurali, R and Cartoixa, X and Galvao, DS},
url = {http://journals.aps.org/prb/abstract/10.1103/PhysRevB.77.073403},
year = {2008},
date = {2008-01-01},
journal = {Physical Review B},
volume = {77},
number = {7},
pages = {073403},
publisher = {American Physical Society},
abstract = {We study by means of first-principles electronic structure calculations the electromechanical response, i.e., the structural modifications upon charge injection, of ⟨100⟩ silicon nanowires. We show that, at variance with sp2 carbon nanostructures, the response is remarkably linear, discriminates between injected charge of different signs, and is up to one order of magnitude larger than in carbon nanotubes.
},
keywords = {DFT, Eletroactuation, Nanowires, Silicon},
pubstate = {published},
tppubtype = {article}
}
We study by means of first-principles electronic structure calculations the electromechanical response, i.e., the structural modifications upon charge injection, of ⟨100⟩ silicon nanowires. We show that, at variance with sp2 carbon nanostructures, the response is remarkably linear, discriminates between injected charge of different signs, and is up to one order of magnitude larger than in carbon nanotubes.
http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ
