The coefficients of thermal expansion of boron arsenide (B12As2) between 25°C and 850°C

Whiteley, Clinton; Kirkham, Melanie J.; Edgar, James H.

doi:10.1016/j.jpcs.2012.12.026

Cited by 8 publications

(4 citation statements)

References 17 publications

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“…The retrieved volume TECs of α-B12, B12P2 and B12As2 (see Table I ) were found to be of the same order of magnitude as those of other boron-rich solids [8,9,[23][24][25][26][27][28]. The αv value of B12As2 (15.3(1)×10 -6 K -1 ) is in excellent agreement with the literature data (15(2)×10 -6 K -1 ) [9].…”

Section: Resultssupporting

confidence: 84%

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Thermal expansion of α-boron and some boron-rich pnictides

Cherednichenko¹,

Solozhenko²

2019

Solid State Communications

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Thermal expansion of α-rhombohedral boron (α-B12) and two isostructural boron-rich pnictides (B12P2 and B12As2) has been studied between 298 and 1280 K by high-temperature synchrotron X-ray diffraction. For all studied phases no temperature-induced phase transitions have been observed. The observed temperature dependencies of the lattice parameters and unit cell volumes were found to be quasi-linear. Variation of the thermal expansion coefficients in the group of boron-rich pnictides (B13N2 -B12P2 -B12As2) was analyzed.

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Section: Resultssupporting

confidence: 84%

“…In the present paper we report the results on thermal expansion of α-rhombohedral boron (α-B12) and two boron-rich pnictides, B12P2 and B12As2. The retrieved thermal expansion coefficients compared with those reported earlier [8,9] allowed us to analyze the thermal expansion variation in the family of boron-rich pnictides.…”

Section: Introductionmentioning

confidence: 99%

Thermal expansion of α-boron and some boron-rich pnictides

Cherednichenko¹,

Solozhenko²

2019

Solid State Communications

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“…The shoulder is likely a result of strain and distortions in the SiC lattice near the B 12 P 2 interface. B 12 P 2 is a hard material and the epilayers were tensile strained caused by both the lattice constant mismatch and the coefficient of thermal expansion mismatch [23]. The strain is so large that the B 12 P 2 films frequently cracked if they were about 2 μm thick or thicker.…”

Section: The Epitaxial Relationship As Determined By X-raymentioning

confidence: 99%

Hydride CVD Hetero-epitaxy of B12P2 on 4H-SiC

Frye

Saw

Padavala

et al. 2017

Journal of Crystal Growth

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Icosahedral boron phosphide (B 12 P 2) is a wide bandgap semiconductor (3.35 eV) that has been reported to "selfheal" from high-energy electron bombardment, making it attractive for potential use in radioisotope batteries, radiation detection, or in electronics in high radiation environments. This study focused on improving B 12 P 2 hetero-epitaxial films by growing on 4H-SiC substrates over the temperature range of 1250-1450 • C using B 2 H 6 and PH 3 precursors in a H 2 carrier gas. XRD scans and Laue transmission photographs revealed that the epitaxial relationship was (0001) 1120 B 12 P 2 (0001) 1120 4H-SiC. The film morphology and crystallinity were investigated as a function of growth temperature and growth time. At 1250 • C, films tended to form rough, polycrystalline layers, but at 1300 and 1350 • C, films were continuous and comparatively smooth (R RMS ≤ 7 nm). At 1400 or 1450 • C, the films grew in islands that coalesced as the films became thicker. Using XRD rocking curves to evaluate the crystal quality, 1300 • C was the optimum growth temperature tested. At 1300 • C, the rocking curve FWHM decreased with increasing film thickness from 1494 arcsec for a 1.1 μm thick film to 954 arcsec for a 2.7 μm thick film, suggesting a reduction in defects with thickness.

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“…Compared to the other icosahedral boron-rich solids, in particular boron carbide, having been frequently addressed in the literature [1,6,17,20,25,27,28,30,35,36,84,91,[94][95][96][108][109][110][111][112][113][114], relatively few studies have so far been made on boron subnitride [19,[115][116][117][118][119][120]. For this reason, several issues about boron subnitride, for example its stable compositions, properties, as well as the correct representation of its basic structural unit, are still inconclusive.…”

Section: Boron Subnitridementioning

confidence: 99%

Disordered Icosahedral Boron-Rich Solids: A Theoretical Study of Thermodynamic Stability and Properties

Ektarawong¹

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The cover page illustrates the crystal structure of disordered boron carbide (B 4 C), projected on the (100) r crystal plane in rhombohedral symmetry.The cover image is visualized by the VESTA package. Red and white spheres represent boron and carbon atoms, respectively.During the course of research underlying this thesis, Annop Ektarawong was enrolled in Agora Materiae, a multidisciplinary doctoral program at Linköping University, Sweden.c Annop Ektarawong Printed by LiU-Tryck 2017 AbstractThis thesis is a theoretical study of configurational disorder in icosahedral boronrich solids, in particular boron carbide, including also the development of a methodological framework for treating configurational disorder in such materials, namely superatom-special quasirandom structure (SA-SQS). In terms of its practical implementations, the SA-SQS method is demonstrated to be capable of efficiently modeling configurational disorder in icosahedral boron-rich solids, whiles the thermodynamic stability as well as the properties of the configurationally disordered icosahedral boron-rich solids, modeled from the SA-SQS method, can be directly investigated, using the density functional theory (DFT).In case of boron carbide, especially B 4 C and B 13 C 2 compositions, the SA-SQS method is used for modeling configurational disorder, arising from a high concentration of low-energy B/C substitutional defects. The results, obtained from the DFT-based calculations, demonstrate that configurational disorder of B and C atoms in boron carbide is not only thermodynamically favored at high temperature, but it also plays an important role in altering the properties of boron carbide − for example, restoration of higher rhombohedral symmetry of B 4 C, a metal-tononmetal transition and a drastic increase in the elastic moduli of B 13 C 2 . The configurational disorder can also explain large discrepancies, regarding the properties of boron carbide, between experiments and previous theoretical calculations, having been a long standing controversial issue in the field of icosahedral boronrich solids, as the calculated properties of the disordered boron carbides are found to be in qualitatively good agreement with those, observed in experiments. In order to investigate the configurational evolution of B 4 C as a function of temperature, beyond the SA-SQS level, a brute-force cluster-expansion method in combination with Monte Carlo simulations is implemented. The results demonstrate that configurational disorder in B 4 C indeed essentially takes place within the icosahedra in a way that justifies the focus on low-energy defect patterns of the superatom picture.The investigation of the thermodynamic stability of icosahedral carbon-rich iii iv boron carbides beyond the believed solubility limit of carbon (20 at.% C) demonstrates that, apart from B 4 C generally addressed in the literature, B 2.5 C represented by B 10 C p 2 (CC) is predicted to be thermodynamically stable with respect to B 4 C as well as pure boron and carbon under high pressure...

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The coefficients of thermal expansion of boron arsenide (B12As2) between 25°C and 850°C

Cited by 8 publications

References 17 publications

Thermal expansion of α-boron and some boron-rich pnictides

Thermal expansion of α-boron and some boron-rich pnictides

Hydride CVD Hetero-epitaxy of B12P2 on 4H-SiC

Disordered Icosahedral Boron-Rich Solids: A Theoretical Study of Thermodynamic Stability and Properties

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