High-pressure x-ray diffraction and<i>ab initio</i>study of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Ni</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>Mo</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:mtext>N</mml:mtext></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Pd</mml:mtext></mml:mrow><mml:mn>2</

Errandonea, Daniel; Ferrer-Roca, Ch.; Martínez‐García, D.; Segura, A.; Gomis, O.; Múñoz, A.; Rodríguez‐Hernández, P.; López-Solano, J.; Alconchel, Silvia; Sapiña, Fernando

doi:10.1103/physrevb.82.174105

Cited by 101 publications

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“…From the EOS fit, we obtained the ambient pressure bulk modulus (B 0 ) and its pressure derivative B 0 as well as the unit-cell volume at ambient pressure (V 0 ). The EOS parameters are given in Table II together with the implied values for the second pressure derivative of the bulk modulus, B 0 [48]. These results suggest that wolframite-type InTaO 4 is less compressible than wolframitetype orthotungstates [22].…”

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confidence: 92%

Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductorInTaO4

et al. 2016

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A pressure-induced phase transition, associated with an increase of the coordination number of In and Ta, is detected beyond 13 GPa in InTaO 4 by combining synchrotron x-ray diffraction and Raman measurements in a diamond-anvil cell with ab initio calculations. High-pressure optical-absorption measurements were also carried out. The high-pressure phase has a monoclinic structure that shares the same space group with the low-pressure phase (P 2/c). The structure of the high-pressure phase can be considered as a slight distortion of an orthorhombic structure described by space group Pcna. The phase transition occurs together with a unit-cell volume collapse and an electronic band-gap collapse observed by experiments and calculations. Additionally, a band crossing is found to occur in the low-pressure phase near 7 GPa. The pressure dependence of all the Raman-active modes is reported for both phases as well as the pressure dependence of unit-cell parameters and the equations of state. Calculations also provide information on infrared-active phonons and bond distances. These findings provide insights into the effects of pressure on the physical properties of InTaO 4 .

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Section: Resultsmentioning

confidence: 92%

Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductorInTaO4

et al. 2016

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“…49,50 On the other hand the most compressible axis of the HP phase is the c-axis which has a linear compressibility one order of magnitude larger than the b-axis (see Table 2). Additionally, we found that the monoclinic β angle of the HP phase is apparently not affected by compression.…”

Section: Resultsmentioning

confidence: 99%

Experimental and Theoretical Investigations on Structural and Vibrational Properties of Melilite-Type Sr₂ZnGe₂O₇ at High Pressure and Delineation of a High-Pressure Monoclinic Phase

et al. 2015

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“…This is common assumption in HP studies and will not affect the determination of the unit-cell parameter. 26 In Fig. 5, we show the residual of the refinement of the XRD experiment carried out at ambient pressure within the DAC.…”

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Cobalt ferrite nanoparticles under high pressure

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et al. 2015

Journal of Applied Physics

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Articles you may be interested inMicrostructure and magnetic properties of MFe2O4 (M = Co, Ni, and Mn) ferrite nanocrystals prepared using colloid mill and hydrothermal method J. Appl. Phys. 117, 17A328 (2015) We report by the first time a high pressure X-ray diffraction and Raman spectroscopy study of cobalt ferrite (CoFe 2 O 4 ) nanoparticles carried out at room temperature up to 17 GPa. In contrast with previous studies of nanoparticles, which proposed the transition pressure to be reduced from 20-27 GPa to 7.5-12.5 GPa (depending on particle size), we found that cobalt ferrite nanoparticles remain in the spinel structure up to the highest pressure covered by our experiments. In addition, we report the pressure dependence of the unit-cell parameter and Raman modes of the studied sample. We found that under quasi-hydrostatic conditions, the bulk modulus of the nanoparticles (B 0 ¼ 204 GPa) is considerably larger than the value previously reported for bulk CoFe 2 O 4 (B 0 ¼ 172 GPa). In addition, when the pressure medium becomes non-hydrostatic and deviatoric stresses affect the experiments, there is a noticeable decrease of the compressibility of the studied sample (B 0 ¼ 284 GPa). After decompression, the cobalt ferrite lattice parameter does not revert to its initial value, evidencing a unit cell contraction after pressure was removed. Finally, Raman spectroscopy provides information on the pressure dependence of all Raman-active modes and evidences that cation inversion is enhanced by pressure under non-hydrostatic conditions, being this effect not fully reversible. V C 2015 AIP Publishing LLC. [http://dx

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High-pressure x-ray diffraction andab initiostudy ofNi2Mo3N,Pd2

Cited by 101 publications

References 39 publications

Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductorInTaO4

Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductorInTaO4

Experimental and Theoretical Investigations on Structural and Vibrational Properties of Melilite-Type Sr₂ZnGe₂O₇ at High Pressure and Delineation of a High-Pressure Monoclinic Phase

Cobalt ferrite nanoparticles under high pressure

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High-pressure x-ray diffraction andab initiostudy ofNi2Mo3N,Pd2

Cited by 101 publications

References 39 publications

Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductorInTaO4

Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductorInTaO4

Experimental and Theoretical Investigations on Structural and Vibrational Properties of Melilite-Type Sr2ZnGe2O7 at High Pressure and Delineation of a High-Pressure Monoclinic Phase

Cobalt ferrite nanoparticles under high pressure

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Experimental and Theoretical Investigations on Structural and Vibrational Properties of Melilite-Type Sr₂ZnGe₂O₇ at High Pressure and Delineation of a High-Pressure Monoclinic Phase