Boron-phil and boron-phob structure units in novel borides Ni3Zn2B and Ni2ZnB: experiment and first principles calculations-Reference-Cited by-同舟云学术

Boron-phil and boron-phob structure units in novel borides Ni3Zn2B and Ni2ZnB: experiment and first principles calculations

Published:2018 Issue:10 Volume:47 Page:3303-3320
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Failamani F.¹²³⁴^ORCID,Podloucky R.⁵²³⁴,Bursik J.⁶⁷⁸⁹^ORCID,Rogl G.¹²³⁴¹⁰,Michor H.¹⁰¹¹¹²⁴^ORCID,Müller H.¹⁰¹¹¹²⁴,Bauer E.¹⁰¹¹¹²⁴¹³,Giester G.¹⁴²³⁴,Rogl P.¹²³⁴¹³^ORCID

Affiliation:

1. Institute of Materials Chemistry and Research

2. University of Vienna

3. A-1090 Vienna

4. Austria

5. Institute of Physical Chemistry

6. Institute of Physics of Materials

7. Academy of Sciences of the Czech Republic

8. 61662 Brno

9. Czech Republic

10. Institute of Solid State Physics

11. TU Wien

12. A-1040 Vienna

13. Christian Doppler Laboratory for Thermoelectricity

14. Institute of Mineralogy and Crystallography

Abstract

The crystal structures of two novel borides τ₅-Ni₃Zn₂B and τ₆-Ni₂ZnB, were determined. For these newly found phases as well as for τ₃-Ni₂₁Zn₂B₂0 and τ₄-Ni₃ZnB₂ density functional theory calculations (DFT-VASP) were performed.

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/DT/C7DT04769J

Reference47 articles.

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