Yazar "Oezturk, Huelya" için listeleme
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High-pressure phases of ZrO2: An ab initio constant-pressure study
Oezturk, Huelya; Durandurdu, Murat (AMER PHYSICAL SOC, 2009)The high-pressure behavior of ZrO2 is studied using an ab initio constant-pressure technique up to 140 GPa. Two high-pressure phases of ZrO2 are predicted through constant-pressure simulations. ZrO2 undergoes a first-order ...