High-pressure Raman and x-ray diffraction studies on<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>LaB</mml:mtext></mml:mrow><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>

Godwal, B. K.; Petruska, E. A.; Speziale, S.; Yan, Jinyuan; Clark, S. M.; Krüger, Michael; Jeanloz, Raymond

doi:10.1103/physrevb.80.172104

Cited by 17 publications

(16 citation statements)

References 28 publications

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“…This indicates that the cubic structure of LaB 6 (CeB 6 ) can remain mechanically stable up to 164.1 GPa (81.7 GPa). Previous high-pressure phase transitions showed that no structural phase transitions occur up to 25 GPa (85 GPa) for LaB 6 (CeB 6 ) [11][12][13]. Therefore, the results of the present work are basically consistent with those of previous experiments.…”

Section: Pressure Derivatives Of Polycrystalline Elastic Modulisupporting

confidence: 93%

“…The calculated bulk modulus (174.2 GPa) of LaB 6 agrees well with the reported experimental values of 163, 184, 188, 164 ± 2, 173 ± 7, and 172 GPa [2][3][4]11,37], and the previous theoretical results of 185 and 180 GPa [3,8]. For CeB 6 , the calculated bulk modulus (174.7 GPa) of the present study are also in good accordance with experimental measurements of 191, 168, 182, and 166 GPa [5,7,12] and other theoretical results of 173 and 166.8 GPa [8,9].…”

Section: Crystalsupporting

confidence: 89%

“…All the obtained results are presented in Table 6. The calculated B value of 2.792 (2.783) for LaB 6 (CeB 6 ) can compare well with the experimental value of 4.2 ± 1.5 [11] (3.15 [12]). One can see that the B and G are positive for both materials, which agree well with the corresponding C ij s. A similar behavior is found for the E and ν being positive, and is in good accordance with the B and G .…”

Section: Crystalsupporting

confidence: 83%

“…Besides, high-pressure phase transitions in LaB 6 and CeB 6 have been investigated experimentally. By using Raman and X-ray diffraction measurements on LaB 6 , Teredesai et al [10] proposed that a phase transition from cubic to orthorhombic crystal structure occurs around 10 GPa, while Godwal et al [11] stated that there is no structural phase transitions up to at least 25 GPa. By using X-ray diffraction measurements on CeB 6 , Leger et al [12] revealed no structural phase transition at ambient temperature up to 20 GPa.…”

Section: Introductionmentioning

confidence: 99%

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First-Principles Study of the Nonlinear Elasticity of Rare-Earth Hexaborides REB6 (RE = La, Ce)

Zeng

Zou

et al. 2017

Crystals

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Abstract:The complete set of independent second-and third-order elastic constants of rare-earth hexaborides LaB 6 and CeB 6 are determined by the combination method of first-principles calculations and homogeneous deformation theory. The ground-state lattice parameters, second-order elastic constants, and bulk modulus are in reasonable agreement with the available experimental data. The third-order elastic constant of longitudinal mode C 111 has a larger absolute value than other shear modes, showing the contribution to lattice vibrations from longitudinal modes to be greater. The pressure derivatives of the second-order elastic constants related to the third-order elastic constants are calculated to be positive for the two hexaborides, which are consistent with those of their polycrystalline bulk modulus and shear modulus. Furthermore, the effect of pressure on the structural stability, mechanical property, and elastic anisotropy of the two hexaborides are investigated, showing a reduction in mechanical stability and an increase in ductility and anisotropy with increasing pressure.

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Section: Pressure Derivatives Of Polycrystalline Elastic Modulisupporting

confidence: 93%

Section: Crystalsupporting

confidence: 89%

Section: Crystalsupporting

confidence: 83%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

First-Principles Study of the Nonlinear Elasticity of Rare-Earth Hexaborides REB6 (RE = La, Ce)

Zeng

Zou

et al. 2017

Crystals

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“…B 0 = 179 AE 2 GPa and B 0 0 = 3.6 AE 0.1 are derived by fitting the experimental data with a third-order Birch-Murnaghan equation of state. The parameters of B 0 and B 0 0 obtained in this work agree better with the theoretically predicted values (Gü rel & Eryig it, 2010) than those derived in previous studies (Teredesai et al, 2004;Godwal et al, 2009), as shown in Table 4 and Fig. 8.…”

Section: Figuresupporting

confidence: 88%

A high-pressure single-crystal-diffraction experimental system at 4W2 beamline of BSRF

et al. 2017

J Synchrotron Radiat

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Information on the structural evolution of materials under high pressure is of great importance for understanding the properties of materials exhibited under high pressure. High-pressure powder diffraction is widely used to investigate the structure evolution of materials at such pressure. Unfortunately, powder diffraction data are usually insufficient for retrieving the atomic structures, with high-pressure single-crystal diffraction being more desirable for such a purpose. Here, a high-pressure single-crystal diffraction experimental system developed recently at beamline 4W2 of Beijing Synchrotron Radiation Facility (BSRF) is reported. The design and operation of this system are described with emphasis on special measures taken to allow for the special circumstance of high-pressure single-crystal diffraction. As an illustration, a series of diffraction datasets were collected on a single crystal of LaB using this system under various pressures (from ambient pressure to 39.1 GPa). The quality of the datasets was found to be sufficient for structure solution and subsequent refinement.

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First-principles study on the electronic structure, phonons and optical properties of LaB6 under high-pressure

Chao

Bao

Wei

et al. 2016

Journal of Alloys and Compounds

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High-pressure Raman and x-ray diffraction studies onLaB6

Cited by 17 publications

References 28 publications

First-Principles Study of the Nonlinear Elasticity of Rare-Earth Hexaborides REB6 (RE = La, Ce)

First-Principles Study of the Nonlinear Elasticity of Rare-Earth Hexaborides REB6 (RE = La, Ce)

A high-pressure single-crystal-diffraction experimental system at 4W2 beamline of BSRF

First-principles study on the electronic structure, phonons and optical properties of LaB6 under high-pressure

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