Yazar "Kurkcu, Cemile" için listeleme
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High-pressure structural phase transitions and intermediate phases of magnesium fluoride
Ozturk, Hulya; Kurkcu, Cemile; Kurkcu, Cihan (ELSEVIER SCIENCE SA, 2014)We investigate the structural behavior of magnesium fluoride (MgF2) under the hydrostatic pressure using constant pressure ab initio technique up to 130 GPa. Through constant pressure simulations, two high-pressure phases ... -
I4/mmm phase of MgF2: An ab initio molecular dynamics study
Ozturk, Hulya; Kurkcu, Cemile; Kurkcu, Cihan (MAIK NAUKA/INTERPERIODICA/SPRINGER, 2015)A constant pressure ab initio technique is applied in order to study the structural response of magnesium fluoride (MgF2) under the hydrostatic pressure up to 800 GPa. The orthorhombic-to-tetragonal phase transformation ... -
Structural phase transformations and new intermediate phases of MgF2 under high-pressures applied via conjugate-gradient method
Ozturk, Hulya; Kurkcu, Cemile; Kurkcu, Cihan (ELSEVIER SCIENCE SA, 2014)An ab initio constant pressure technique is performed in order to study the structural behavior of MgF2 under the hydrostatic pressure up to 700 GPa. Two high-pressure phases of MgF2 are successfully observed through ...
