Show simple item record


Compressibility, microcalorimetry, elastic properties and EELS of rhenium borides

dc.contributor.authorNeun, Christopher
dc.contributor.authorPetermüller, Benedikt
dc.contributor.authorBayarjargal, Lkhamsuren
dc.contributor.authorMorgenroth, Wolfgang
dc.contributor.authorÁvalos Borja, Miguel
dc.contributor.authorSilva Pereyra, Héctor Gabriel
dc.contributor.authorSpahr, Dominik
dc.contributor.authorSchmuck, Felix
dc.contributor.authorMilman, Victor
dc.contributor.authorHuppertz, Hubert
dc.contributor.authorWinkler, Bjoern
dc.identifier.citationChristopher Neun, Benedikt Petermüller, Lkhamsuren Bayarjargal, Wolfgang Morgenroth, Miguel Avalos-Borja, Hector G. Silva-Pereyra, Dominik Spahr, Felix Schmuck, Victor Milman, Hubert Huppertz, Björn Winkler, Compressibility, microcalorimetry, elastic properties and EELS of rhenium borides, Solid State Sciences, Volume 81, 2018, Pages 71-81.
dc.description.abstract"Based on synchrotron X-ray diffraction on phase-pure samples, we revised the bulk moduli of the rhenium borides Re7B3 (B-0 (Re7B3) = 391(5) GPa) and orthorhombic Re3B (B-0 (orthorhombic Re3B) = 393(4) GPa) and determined the bulk modulus of monoclinic Re3B (B-0 (monoclinic Re3B) = 390(3) GPa). These results agree well with the DFT calculations on the elastic properties. Microcalorimetry was employed to obtain thermodynamic data for Re7B3 and orthorhombic Re3B and we determined C-P,(298) (Re7B3) = 210(4) J/mol, Delta H-2(98)0 (Re7B3) = 40558(400) J/mol, S-298(0) (Re7B3) = 267(2) J/mol K and theta(D)(,)(298) (Re7B3) = 320(2) K, as well as C-p,(298) (Re3B)= 86(1) J/mol, Delta H-2(98)0 (Re3B) = 16950(170) J/mol, S-2(98)0 (Re3B) 112(1) J/mol K and theta(D,)(298) (Re3B) = 329(3) K. Hardness measurements were performed for Re7B3, which gave a Vickers hardness H-V(5 kgf) = 14.5(4) GPa and H-V(10 kgf) = 14.1(3) GPa. Electron energy loss spectroscopy (EELS) was performed on orthorhombic Re3B and ReB2, and the experimental spectra are well reproduced by theory in terms of their absorption edges."
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional
dc.subjectTransition metal borides
dc.subjectElastic properties
dc.subjectHigh-pressure XRD
dc.subjectDensity functional theory
dc.titleCompressibility, microcalorimetry, elastic properties and EELS of rhenium borides
dc.rights.accessAcceso Abierto

Files in this item


This item appears in the following Collection(s)

Show simple item record

Attribution-NonCommercial-NoDerivatives 4.0 Internacional
Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivatives 4.0 Internacional