Thermoelastic properties of ScB2, TiB2, YB4 and HoB2: Experimental and theoretical studies

A. Waskowska...[et al.]; L. Gerward; Janus Staun Olsen; K.R. Babu

doi:10.1016/j.actamat.2011.04.030

Thermoelastic properties of ScB₂, TiB₂, YB₄ and HoB₂: Experimental and theoretical studies

A. Waskowska...[et al.], L. Gerward, Janus Staun Olsen, K.R. Babu

42 Citations (Scopus)

Abstract

High-pressure X-ray diffraction in ScB₂, TiB₂, YB₄ and HoB₄ powders and single crystals has been studied using synchrotron radiation as well as conventional X-rays. The experimental results are supported by calculations using density functional theory. ScB ₂, YB₄ and HoB₄ are hard materials (bulk modulus 180-200 GPa), while TiB₂ may be classified as superhard (bulk modulus about 260 GPa). We report here first experimental and theoretical determinations of the bulk modulus for HoB₄ (195(5) and 198.2 GPa, respectively), and first experimental values of the bulk modulus for ScB ₂ (196(2) GPa) and YB₄ (185(4) GPa). No pressure-induced phase transformations are observed in any of the above borides up to about 20 GPa. A continuous temperature-driven orthorhombic distortion is observed for HoB₄ below 285 K. Values of the thermal expansion coefficient are reported for ScB₂ and HoB₄ at 293, 200 and 100 K. The thermoelastic behavior is explained in terms of bonding characteristics.

Original language	English
Journal	Acta Materialia
Volume	59
Issue number	12
Pages (from-to)	4886-4894
ISSN	1359-6454
DOIs	https://doi.org/10.1016/j.actamat.2011.04.030
Publication status	Published - Jul 2011

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10.1016/j.actamat.2011.04.030

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@article{7c7d15ef238a44b58052c885f9653391,

title = "Thermoelastic properties of ScB2, TiB2, YB4 and HoB2: Experimental and theoretical studies",

abstract = "High-pressure X-ray diffraction in ScB2, TiB2, YB4 and HoB4 powders and single crystals has been studied using synchrotron radiation as well as conventional X-rays. The experimental results are supported by calculations using density functional theory. ScB 2, YB4 and HoB4 are hard materials (bulk modulus 180-200 GPa), while TiB2 may be classified as superhard (bulk modulus about 260 GPa). We report here first experimental and theoretical determinations of the bulk modulus for HoB4 (195(5) and 198.2 GPa, respectively), and first experimental values of the bulk modulus for ScB 2 (196(2) GPa) and YB4 (185(4) GPa). No pressure-induced phase transformations are observed in any of the above borides up to about 20 GPa. A continuous temperature-driven orthorhombic distortion is observed for HoB4 below 285 K. Values of the thermal expansion coefficient are reported for ScB2 and HoB4 at 293, 200 and 100 K. The thermoelastic behavior is explained in terms of bonding characteristics.",

author = "{Waskowska...[et al.]}, A. and L. Gerward and Olsen, {Janus Staun} and K.R. Babu",

year = "2011",

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doi = "10.1016/j.actamat.2011.04.030",

language = "English",

volume = "59",

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journal = "Acta Materialia",

issn = "1359-6454",

publisher = "Pergamon Press",

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TY - JOUR

T1 - Thermoelastic properties of ScB2, TiB2, YB4 and HoB2

T2 - Experimental and theoretical studies

AU - Waskowska...[et al.], A.

AU - Gerward, L.

AU - Olsen, Janus Staun

AU - Babu, K.R.

PY - 2011/7

Y1 - 2011/7

N2 - High-pressure X-ray diffraction in ScB2, TiB2, YB4 and HoB4 powders and single crystals has been studied using synchrotron radiation as well as conventional X-rays. The experimental results are supported by calculations using density functional theory. ScB 2, YB4 and HoB4 are hard materials (bulk modulus 180-200 GPa), while TiB2 may be classified as superhard (bulk modulus about 260 GPa). We report here first experimental and theoretical determinations of the bulk modulus for HoB4 (195(5) and 198.2 GPa, respectively), and first experimental values of the bulk modulus for ScB 2 (196(2) GPa) and YB4 (185(4) GPa). No pressure-induced phase transformations are observed in any of the above borides up to about 20 GPa. A continuous temperature-driven orthorhombic distortion is observed for HoB4 below 285 K. Values of the thermal expansion coefficient are reported for ScB2 and HoB4 at 293, 200 and 100 K. The thermoelastic behavior is explained in terms of bonding characteristics.

AB - High-pressure X-ray diffraction in ScB2, TiB2, YB4 and HoB4 powders and single crystals has been studied using synchrotron radiation as well as conventional X-rays. The experimental results are supported by calculations using density functional theory. ScB 2, YB4 and HoB4 are hard materials (bulk modulus 180-200 GPa), while TiB2 may be classified as superhard (bulk modulus about 260 GPa). We report here first experimental and theoretical determinations of the bulk modulus for HoB4 (195(5) and 198.2 GPa, respectively), and first experimental values of the bulk modulus for ScB 2 (196(2) GPa) and YB4 (185(4) GPa). No pressure-induced phase transformations are observed in any of the above borides up to about 20 GPa. A continuous temperature-driven orthorhombic distortion is observed for HoB4 below 285 K. Values of the thermal expansion coefficient are reported for ScB2 and HoB4 at 293, 200 and 100 K. The thermoelastic behavior is explained in terms of bonding characteristics.

U2 - 10.1016/j.actamat.2011.04.030

DO - 10.1016/j.actamat.2011.04.030

M3 - Journal article

SN - 1359-6454

VL - 59

SP - 4886

EP - 4894

JO - Acta Materialia

JF - Acta Materialia

IS - 12

ER -

Thermoelastic properties of ScB2, TiB2, YB4 and HoB2: Experimental and theoretical studies

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Thermoelastic properties of ScB₂, TiB₂, YB₄ and HoB₂: Experimental and theoretical studies