Isotopic composition dependences of lattice constant and thermal expansion of β-rhombohedral boron

Gabunia, Domenti; Tsagareishvili, Otar; Chkhartishvili, Levan; Gabunia, Levan

doi:10.1088/1742-6596/176/1/012022

Cited by 14 publications

(9 citation statements)

References 17 publications

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“…We suspect problems in the dilatometric measurements because a study on isotope-enriched b-rhombohedral boron, recently reported by the same group [15] yielded thermal expansions of about one third of the previous ones [7], hence even considerably enlarging the discrepancy.…”

Section: Discontinuous Physical Propertiesmentioning

confidence: 98%

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Phase transition in β-rhombohedral boron near 550 K

Hoffmann

Werheit

2012

Solid State Sciences

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Section: Discontinuous Physical Propertiesmentioning

confidence: 98%

“…1a), structure formula (B 12 ) 4 (B 28 ) 2 B, contains 105 atoms on 15 crystallographically independent sites B(1)eB (15) [2]. However, in the real structure the occupancy of site B (13) is w75% only, and in addition, there are five partially occupied sites (POS) B(16)eB(20) (Fig.…”

Section: Crystal Structurementioning

confidence: 99%

Phase transition in β-rhombohedral boron near 550 K

Hoffmann

Werheit

2012

Solid State Sciences

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“…Despite its simplicity, the diatomic model is still successfully used to calculate anharmonic effects in solids [10] . An analogous approach was used by us to explain isotopic effects of thermal expansion and melting in all-boron lattices [11][12][13][14][15] .…”

Section: Based On Various Ab Initio Methods Specific Binding Energy Amentioning

confidence: 99%

Relative stability of planar clusters B11, B12, and B13 in neutral- and charged-states

Chkhartishvili

2019

CAN

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Theoretically, within the diatomic model, there is studied the relative stability of most abundant boron clusters B11, B12, and B13 with planar structures in neutral, positively and negatively charge-states. According to the specific (pet atom) binding energy criterion, B12+ (6.49 eV) is found to be the most stable boron cluster, while B11– + B13+ (5.83 eV) neutral pair is expected to present the preferable ablation channel for boron-rich solids. Obtained results would be applicable in production of boron-clusters-based nanostructured coating materials with super-properties such as lightness, hardness, conductivity, chemically inertness, neutron-absorption, etc. making them especially effective for protection against cracking, wear, corrosion, neutron- and electromagnetic-radiations, etc.

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“…Despite its simplicity, the diatomic model is still successfully used to calculate various anharmonic effects in solids [14]. An analogous approach is successfully used to explain various isotopic effects in all-boron lattices [15][16][17].…”

Section: Introductionmentioning

confidence: 99%

Quasi-planar elemental clusters in pair interactions approximation

Chkhartishvili

2016

Open Physics

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Abstract:The pair-interactions approximation, when applied to describe elemental clusters, only takes into account bonding between neighboring atoms. According to this approach, isomers of wrapped forms of 2D clustersnanotubular and fullerene-like structures -and truly 3D clusters, are generally expected to be more stable than their quasi-planar counterparts. This is because quasiplanar clusters contain more peripheral atoms with dangling bonds and, correspondingly, fewer atoms with saturated bonds. However, the differences in coordination numbers between central and peripheral atoms lead to the polarization of bonds. The related corrections to the molar binding energy can make small, quasi-planar clusters more stable than their 2D wrapped allotropes and 3D isomers. The present work provides a general theoretical frame for studying the relative stability of small elemental clusters within the pair interactions approximation.

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Isotopic composition dependences of lattice constant and thermal expansion of β-rhombohedral boron

Cited by 14 publications

References 17 publications

Phase transition in β-rhombohedral boron near 550 K

Phase transition in β-rhombohedral boron near 550 K

Relative stability of planar clusters B11, B12, and B13 in neutral- and charged-states

Quasi-planar elemental clusters in pair interactions approximation

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