Boron under pressure: Phase diagram and novel high-pressure phase

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Abstract

Boron has a unique chemistry, responsible for remarkable complexities even in the pure element. I review some of the history of the discovery of this element, and recent surprises found in boron under pressure. I discuss the recent discovery of a new high-pressure phase, γ-B28, consisting of icosahedral B12 clusters and B2 pairs in a NaCl-type arrangement: (B2)δ+(B12) δ-, and displaying a significant charge transfer δ ∼ 0.48. Boron is the only light element, for which the phase diagram has become clear only in the last couple of years, and this phase diagram is discussed here among other recent findings.

Original languageEnglish
Title of host publicationBoron Rich Solids
Subtitle of host publicationSensors, Ultra High Temperature Ceramics, Thermoelectrics, Armor
EditorsNina Orlovskaya
Pages207-225
Number of pages19
DOIs
Publication statusPublished - 2011
Externally publishedYes

Publication series

NameNATO Science for Peace and Security Series B: Physics and Biophysics
ISSN (Print)1874-6500

Keywords

  • ab initio simulations
  • boron allotropes
  • crystal structure prediction
  • phase diagram

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