From random stacking faults to polytypes: A 12-layer NiSn4 polytype

A. Leineweber, C. Wolf, P. Kalanke, C. Schimpf, H. Becker, Shunli Shang, Zi-kui Liu

Research output: Contribution to journalArticle

Abstract

NiSn4 grows in diffusion couples (Ni plates with electrodeposited Sn) in a temperature range from room temperature up to 353 K. Previously, the crystal structure of NiSn4 grown at ambient temperature was identified to be an intermediate stacking variant between the orthorhombic PtSn4-type and the tetragonal β-IrSn4-type structure, with a slight tendency towards the tetragonal type (Schimpf et al., Mater. Design 109 (2016) 324–333). Now it is reported that NiSn4 forming at 333 K and above, exhibits a 12-layer polytype (space group P42/nbc, a = b = 6.250 Å c = 69.00 Å) due to ordered incorporation of stacking faults into the structure. This NiSn4 structure was derived by comparison of its diffraction patterns with those of the exhaustively generated NiSn4 polytypes. First-principles calculations on a series of selected NiSn4 polytypes demonstrate that the experimentally observed polytype is energetically favoured as compared to others.

Original languageEnglish (US)
Pages (from-to)265-273
Number of pages9
JournalJournal of Alloys and Compounds
Volume774
DOIs
StatePublished - Feb 5 2019

Fingerprint

Stacking faults
Temperature
Diffraction patterns
Crystal structure

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

Cite this

Leineweber, A. ; Wolf, C. ; Kalanke, P. ; Schimpf, C. ; Becker, H. ; Shang, Shunli ; Liu, Zi-kui. / From random stacking faults to polytypes : A 12-layer NiSn4 polytype. In: Journal of Alloys and Compounds. 2019 ; Vol. 774. pp. 265-273.
@article{9b9672594a7240f49c2ef138c477ddd7,
title = "From random stacking faults to polytypes: A 12-layer NiSn4 polytype",
abstract = "NiSn4 grows in diffusion couples (Ni plates with electrodeposited Sn) in a temperature range from room temperature up to 353 K. Previously, the crystal structure of NiSn4 grown at ambient temperature was identified to be an intermediate stacking variant between the orthorhombic PtSn4-type and the tetragonal β-IrSn4-type structure, with a slight tendency towards the tetragonal type (Schimpf et al., Mater. Design 109 (2016) 324–333). Now it is reported that NiSn4 forming at 333 K and above, exhibits a 12-layer polytype (space group P42/nbc, a = b = 6.250 {\AA} c = 69.00 {\AA}) due to ordered incorporation of stacking faults into the structure. This NiSn4 structure was derived by comparison of its diffraction patterns with those of the exhaustively generated NiSn4 polytypes. First-principles calculations on a series of selected NiSn4 polytypes demonstrate that the experimentally observed polytype is energetically favoured as compared to others.",
author = "A. Leineweber and C. Wolf and P. Kalanke and C. Schimpf and H. Becker and Shunli Shang and Zi-kui Liu",
year = "2019",
month = "2",
day = "5",
doi = "10.1016/j.jallcom.2018.09.341",
language = "English (US)",
volume = "774",
pages = "265--273",
journal = "Journal of Alloys and Compounds",
issn = "0925-8388",
publisher = "Elsevier BV",

}

From random stacking faults to polytypes : A 12-layer NiSn4 polytype. / Leineweber, A.; Wolf, C.; Kalanke, P.; Schimpf, C.; Becker, H.; Shang, Shunli; Liu, Zi-kui.

In: Journal of Alloys and Compounds, Vol. 774, 05.02.2019, p. 265-273.

Research output: Contribution to journalArticle

TY - JOUR

T1 - From random stacking faults to polytypes

T2 - A 12-layer NiSn4 polytype

AU - Leineweber, A.

AU - Wolf, C.

AU - Kalanke, P.

AU - Schimpf, C.

AU - Becker, H.

AU - Shang, Shunli

AU - Liu, Zi-kui

PY - 2019/2/5

Y1 - 2019/2/5

N2 - NiSn4 grows in diffusion couples (Ni plates with electrodeposited Sn) in a temperature range from room temperature up to 353 K. Previously, the crystal structure of NiSn4 grown at ambient temperature was identified to be an intermediate stacking variant between the orthorhombic PtSn4-type and the tetragonal β-IrSn4-type structure, with a slight tendency towards the tetragonal type (Schimpf et al., Mater. Design 109 (2016) 324–333). Now it is reported that NiSn4 forming at 333 K and above, exhibits a 12-layer polytype (space group P42/nbc, a = b = 6.250 Å c = 69.00 Å) due to ordered incorporation of stacking faults into the structure. This NiSn4 structure was derived by comparison of its diffraction patterns with those of the exhaustively generated NiSn4 polytypes. First-principles calculations on a series of selected NiSn4 polytypes demonstrate that the experimentally observed polytype is energetically favoured as compared to others.

AB - NiSn4 grows in diffusion couples (Ni plates with electrodeposited Sn) in a temperature range from room temperature up to 353 K. Previously, the crystal structure of NiSn4 grown at ambient temperature was identified to be an intermediate stacking variant between the orthorhombic PtSn4-type and the tetragonal β-IrSn4-type structure, with a slight tendency towards the tetragonal type (Schimpf et al., Mater. Design 109 (2016) 324–333). Now it is reported that NiSn4 forming at 333 K and above, exhibits a 12-layer polytype (space group P42/nbc, a = b = 6.250 Å c = 69.00 Å) due to ordered incorporation of stacking faults into the structure. This NiSn4 structure was derived by comparison of its diffraction patterns with those of the exhaustively generated NiSn4 polytypes. First-principles calculations on a series of selected NiSn4 polytypes demonstrate that the experimentally observed polytype is energetically favoured as compared to others.

UR - http://www.scopus.com/inward/record.url?scp=85054388481&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85054388481&partnerID=8YFLogxK

U2 - 10.1016/j.jallcom.2018.09.341

DO - 10.1016/j.jallcom.2018.09.341

M3 - Article

AN - SCOPUS:85054388481

VL - 774

SP - 265

EP - 273

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

SN - 0925-8388

ER -