liu.seSearch for publications in DiVA
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • 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
Penta- and hexa-coordinated beryllium and phosphorus in high-pressure modifications of CaBe2P2O8
DESY, Germany.
Univ Bayreuth, Germany.
Univ Bayreuth, Germany.
St Petersburg State Univ, Russia.
Show others and affiliations
2019 (English)In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 10, article id 2800Article in journal (Refereed) Published
Abstract [en]

Beryllium oxides have been extensively studied due to their unique chemical properties and important technological applications. Typically, in inorganic compounds beryllium is tetrahedrally coordinated by oxygen atoms. Herein based on results of in situ single crystal X-ray diffraction studies and ab initio calculations we report on the high-pressure behavior of CaBe2P2O8, to the best of our knowledge the first compound showing a step-wise transition of Be coordination from tetrahedral (4) to octahedral (6) through trigonal bipyramidal (5). It is remarkable that the same transformation route is observed for phosphorus. Our theoretical analysis suggests that the sequence of structural transitions of CaBe2P2O8 is associated with the electronic transformation from predominantly molecular orbitals at low pressure to the state with overlapping electronic clouds of anions orbitals.

Place, publisher, year, edition, pages
NATURE PUBLISHING GROUP , 2019. Vol. 10, article id 2800
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-158965DOI: 10.1038/s41467-019-10589-zISI: 000472840400015PubMedID: 31243286OAI: oai:DiVA.org:liu-158965DiVA, id: diva2:1338146
Note

Funding Agencies|Ministry of Science and High Education of the Russian Federation [K2-2019-001]; Russian Foundation for Basic Research [19-02-00871]; Swedish Research Council (VR) [2015-04391]; Swedish Government Strategic Research Areas in Materials Science on Functional Materials at Linkoping University (Faculty Grant SFO-Mat-LiU) [2009-00971]; SeRC

Available from: 2019-07-19 Created: 2019-07-19 Last updated: 2019-07-19

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textPubMed

Search in DiVA

By author/editor
Abrikosov, Igor
By organisation
Theoretical PhysicsFaculty of Science & Engineering
In the same journal
Nature Communications
Condensed Matter Physics

Search outside of DiVA

GoogleGoogle Scholar

doi
pubmed
urn-nbn

Altmetric score

doi
pubmed
urn-nbn
Total: 8 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • 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