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- W2085912036 abstract "The pressure-induced phase transition in strontium, including the recent experimental observation of high-pressure phase Sr-IV, was investigated theoretically using the projector augmented wave method. We also concentrated on the experimentally observed $ensuremath{beta}$-tin structure as this structure has never been found in any other alkaline-earth metals. The fcc-bcc phase transition was reproduced, but Sr-IV was found to be energetically more stable than the $ensuremath{beta}$-tin structure at all pressures. By considering enthalpy, the sequence of the phase transitions along the pressure range is $fccensuremath{rightarrow}bccensuremath{rightarrow}text{Sr-IV}$. With some detailed examination, we concluded that the $ensuremath{beta}$-tin structure is either a metastable state or a coexisting phase, and further experimental investigation is suggested." @default.
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- W2085912036 date "2008-05-29" @default.
- W2085912036 modified "2023-10-01" @default.
- W2085912036 title "High pressure structural phase transitions in Sr from<i>ab initio</i>calculations" @default.
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- W2085912036 doi "https://doi.org/10.1103/physrevb.77.174118" @default.
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