期刊
SOLID STATE COMMUNICATIONS
卷 149, 期 21-22, 页码 830-834出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ssc.2009.03.021
关键词
Strontium hydride; Diamond anvil cell; Phase transitions; High pressure
资金
- NSERC
- NRC
- CIHR
- University of Saskatchewan
Powder x-ray diffraction experiments and first-principles calculations have been carried out to investigate the possibility of a structural phase transition, characterized by a change from ionic to covalent bonding, in strontium hydride at pressures greater than 50 GPa. The powder x-ray diffraction results confirm a previously reported transition from the cotunnite structure to the Ni(2)In structure at approximately 8 GPa. The Ni(2) In phase remained stable up to the maximum experimental pressure of 113 GPa. The first-principles calculations, however, predict that under hydrostatic conditions a transition from the Ni(2)In structure to the AlB(2) structure will occur at 115 GPa. A comparison of the pressure-dependent volume yielded by the respective experimental and theoretical studies suggests that in many cases the bulk modulus obtained from experiments carried out under non-hydrostatic conditions may be overestimated. Raman spectroscopy experiments corroborated the previously proposed Ni(2)In structure, as the spectra obtained at pressures greater than 8 GPa exhibited two Raman-active modes, consistent with those expected from the Ni(2)In structure. (C) 2009 Elsevier Ltd. All rights reserved.
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