GaS and InSe equations of state from single crystal diffraction

作者: J. Pellicer-Porres , E. Machado-Charry , A. Segura , S. Gilliland , E. Canadell

DOI: 10.1002/PSSB.200672561

关键词: CrystallographyHigh pressurePhase transitionChemistryAb initio quantum chemistry methodsDiffractionSingle crystalSingle Crystal Diffraction

摘要: We have performed single crystal angle dispersive X-ray diffraction at high pressure in order to investigate the GaS and InSe equations of state. situate transition from β-GaS GaS-II 2.7 ± 0.3 GPa. In experiment we locate beginning phase 7.6 0.6 The state (V 0 = 43.27 ±0.06 A 3 , B =37 ±2 GPa, B'=5.2), (7, 42.4 0.2 A3, =50 ±3 GPa B' 4.3 0.3) γ-InSe 58.4 24 8.6 0.8) are discussed compared with results an ab-initio calculation.

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