The crystal structure of SnP3 and a note on the crystal structure of GeP3

Gullman, Jan; Olofsson, Olle

doi:10.1016/0022-4596(72)90091-6

Cited by 93 publications

(67 citation statements)

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“…Bulk GeP 3 and SnP 3 (R3 ‾m space group) are layered structures with interlayer van der Waals interaction. [47][48][49] In monolayers, every Ge (Sn) atom is bonded with three neighboring P atoms, while each P atom forms one Ge-P (Sn-P) bond and two P-P bonds, yielding hexagonal puckered arsenic-type honeycomb configurations. Here, the monolayer GeP 3 and SnP 3 are obtained by a full optimization of a single layer taken from the bulk structure.…”

Section: Resultsmentioning

confidence: 99%

Monolayer triphosphates MP₃ (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction

Huang

Zhong

et al. 2019

Nanoscale

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Section: Resultsmentioning

confidence: 99%

Monolayer triphosphates MP₃ (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction

Huang

Zhong

et al. 2019

Nanoscale

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“…Bulk SnP 3 has the layered structure with the trigonal space group of R-3m [25]. Monolayer SnP 3 has the hexagonal lattice with the space group of P-3m1, which is show in figures 1(a) and 1(b).…”

Section: Electronic Band Structure and Strain Effectmentioning

confidence: 99%

Strain tunable pudding-mold-type band structure and thermoelectric properties of SnP3 monolayer

Wei

Wang

Fan

et al. 2020

Journal of Applied Physics

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Recent studies indicated the interesting metal-to-semiconductor transition when layered bulk GeP 3 and SnP 3 are restricted to the monolayer or bilayer, and SnP 3 monolayer has been predicted to possess high carrier mobility and promising thermoelectric performance. Here, we investigate the biaxial strain effect on the electronic and thermoelectric properties of SnP 3 monolayer. Our first-principles calculations combined with Boltzmann transport theory indicate that SnP 3 monolayer has the "pudding-mold-type" valence band structure, giving rise to a large p-type Seebeck coefficient and a high p-type power factor. The compressive biaxial strain can decrease the energy gap and result in the metallicity. In contrast, the tensile biaxial strain increases the energy gap, and increases the n-type Seebeck coefficient and decreases the n-type electrical conductivity. Although the lattice thermal conductivity becomes larger at a tensile biaxial strain due to the increased maximum frequency of the acoustic phonon modes and the increased phonon group velocity, it is still low, only e.g. 3.1 Wm −1 K −1 at room temperature with the 6% tensile biaxial strain. Therefore, SnP 3 monolayer is a good thermoelectric material with low lattice thermal conductivity even at the 6% tensile strain, and the tensile strain is beneficial to the increase of the n-type Seebeck coefficient.

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“…Die Länge der Sn-Sn-Bindung ist gut verträglich mit der Summe der kovalenten Radien nach Pauling für eine Einfachbindung in tetraedrischer Umgebung [6], ist aber verglichen mit dem entsprechenden Wert im Sn2Te6 6~-Anion mit 281,4 pm deutlich aufgeweitet, was wohl auf den stärker polaren Charakter der endständigen P-Atome zurückzuführen ist. Die Sn-P-Abstände (248,7-254,4 pm) sind deutlich kleiner als im SnP3 (266,2 pm) [7] oder Sn4P3 (266-295 pm) [8] (1) 155 (4) 127 (4) 114 (4) 2 (3) 78 (3) 16 (3) 4 Ba2 (1) 114 (4) 199 (4) 133 (4) 25 (3) 14 (3) 22 ( (1) 99 (3) 139 (4) 107 (4) 14 (3) 42 (3) 17 ( (1) 68 (4) 89 (4) 68 ( (5) 98 (15) …”

Section: Strukturbeschreibung Und Diskussionunclassified

NOTIZEN. Darstellung und Struktur von Ba₆Sn₂P₆ / Preparation and Crystal Structure of Ba₆Sn₂P₆

Eisenmann

Jordan

Schäfer

1983

Zeitschrift Für Naturforschung B

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The crystal structure of SnP3 and a note on the crystal structure of GeP3

Cited by 93 publications

References 6 publications

Monolayer triphosphates MP₃ (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction

Monolayer triphosphates MP₃ (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction

Strain tunable pudding-mold-type band structure and thermoelectric properties of SnP3 monolayer

NOTIZEN. Darstellung und Struktur von Ba₆Sn₂P₆ / Preparation and Crystal Structure of Ba₆Sn₂P₆

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The crystal structure of SnP3 and a note on the crystal structure of GeP3

Cited by 93 publications

References 6 publications

Monolayer triphosphates MP3 (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction

Monolayer triphosphates MP3 (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction

Strain tunable pudding-mold-type band structure and thermoelectric properties of SnP3 monolayer

NOTIZEN. Darstellung und Struktur von Ba6Sn2P6 / Preparation and Crystal Structure of Ba6Sn2P6

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Monolayer triphosphates MP₃ (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction

Monolayer triphosphates MP₃ (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction

NOTIZEN. Darstellung und Struktur von Ba₆Sn₂P₆ / Preparation and Crystal Structure of Ba₆Sn₂P₆