Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Sphalerite-Chalcopyrite Polymorphism in Semimetallic ZnSnSb2
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
Max-Planck Institute for Solid State Research.
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
Solid State Physics, IMIT, Royal Institute of Technology, KTH.
Show others and affiliations
2005 (English)In: Chemistry of Materials, ISSN 0897-4756, E-ISSN 1520-5002, Vol. 17, no 24, 6080-6085 p.Article in journal (Refereed) Published
Abstract [en]

We have investigated the system ZnSnSb2 in the course of our attempts to modify thermoelectricZn-Sb frameworks. ZnSnSb2 is only accessible when employing Sn as reactive flux in the synthesis.The material shows an order-disorder transition in the temperature interval between 225 and 240 °Cand decomposes peritectically at about 360 °C. The high-temperature form of ZnSnSb2 adopts the Zn/Sndisordered cubic sphalerite-type structure. Electron microscopy investigations reveal that samples quenchedfrom 350 °C already contain domains of the low-temperature form, which has the Zn/Sn ordered tetragonalchalcopyrite structure. The c/a ratio of the tetragonal structure is, within experimental errors, identical tothe ideal value 2. This gives rise to intricate microtwinning in the low-temperature chalcopyrite form ofZnSnSb2 as obtained in samples quenched from 250 °C. First principles electronic structure calculationsdemonstrate that the tetragonal low-temperature form of ZnSnSb2 has a narrow band gap of about 0.2eV. This is in agreement with the semimetallic behavior of the material found from resistivity measurement.The shape of the electronic density of states for ZnSnSb2 is similar to thermoelectric binary Zn-Sbframeworks. However, the thermopower of ZnSnSb2 is rather low with room-temperature values rangingfrom 10 to 30 íV/K.

Place, publisher, year, edition, pages
Washington, DC, 2005. Vol. 17, no 24, 6080-6085 p.
National Category
Inorganic Chemistry
Research subject
Inorganic Chemistry
Identifiers
URN: urn:nbn:se:su:diva-42921DOI: 10.1021/cm0516053OAI: oai:DiVA.org:su-42921DiVA: diva2:352224
Available from: 2010-09-21 Created: 2010-09-20 Last updated: 2017-12-12Bibliographically approved
In thesis
1. Thermoelectric Properties of Antimony Based Networks
Open this publication in new window or tab >>Thermoelectric Properties of Antimony Based Networks
2010 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

With the retreating sources of carbon based fuels, thermoelectric materials can play an important role in the future of environmentally friendly power generators. Sb based framework have in some cases shown some promising properties as thermoelectric materials. The physical properties may be modified with doping or incorporation of new elements. Zn4Sb3 and Cd4Sb3 are structurally related with a Sb-based network and Zn/Cd occupying the rest of the positions. Both structures undergo order-disorder αβ transition of the Zn/Cd positions, at 254 K and ~355 K respectively. The previously ordered interstitial atoms become distributed in the structure and the two high temperature phases are isostructural (R-3c). Cd4Sb3 was synthesized from melt-quench, flux synthesis with Sn, Bi and In. The syntheses made with In resulted in interstitial-free β-Cd4Sb3 with the composition Cd11.7In1.5Sb10. This compound exhibits no phase transitions until decomposition. ZnSnSb2 and InSb both exhibit the cubic sphalerite structure. ZnSnSb2 is metallic and InSb narrow band-gap semiconductor. Attempts were made to fine-tune the electrical properties by probing the mutual solid solubility range. The formula [ZnSnSb2]x[2(InSb)]1-xSn4 and 0<X<1 with 0.1 increments for the whole composition range was used. Resistivity changes from semiconducting to metallic conduction between x=0.9 and x=0.8. In the attempt to dope Zn4Sb3 by In a novel metastable compound with the composition Zn9Sb6In2 was found. Another novel phase was discovered with the composition Zn5Sb4In2-δ (δ=0.15).  The two phases have the same Sb-framework with a CuAl2 structure. Zn and In arrangements fill the square antiprisms formed by the stacking of 32434 nets in anti configuration. The filling of the antiprisms in the two phases are different, in Zn9Sb6In2 the antiprisms have two filling arrangements, an In or Zn3 triangles. In Zn5Sb4In2-δ the antiprisms are filled with an In and a Zn that occupies a split position to form a hetero-atomic dimers.

Place, publisher, year, edition, pages
Stockholm: Department of Materials and Environmental Chemistry, Stockholm University, 2010. 65 p.
Keyword
thermoelectric, narrow gap semiconductors, zinc antimonides, cadmium antimonides, chalcopyrites, sphalerites
National Category
Inorganic Chemistry
Research subject
Materials Chemistry
Identifiers
urn:nbn:se:su:diva-42981 (URN)978-91-7447-143-4 (ISBN)
Public defence
2010-10-22, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 16 B, Stockholm, 13:00 (English)
Opponent
Supervisors
Available from: 2010-09-30 Created: 2010-09-22 Last updated: 2010-10-04Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Tengå, AndreasHäussermann, Ulrich
By organisation
Inorganic and Structural Chemistry
In the same journal
Chemistry of Materials
Inorganic Chemistry

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 125 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf