Yazar "Ozturk, Hulya" için listeleme
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Free Surface Effect On Displacement And Relative Interfacial Displacement Fields Of Misfit Dislocations At The Bicrystal Interface
Ozturk, Hulya (SPRINGER INDIA, 2007)The displacement field (u) over right arrow and the relative interfacial displacement field (Delta u) over right arrow are investigated for the material formed by two isotropic media. When one of the media tends to infinity ... -
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 ... -
Investigation of structural and electronic properties of beta-HgS: Molecular dynamics simulations
Kurkcu, Cihan; Selgin, A. L.; Merdan, Ziya; Yamcicier, Cagatay; Ozturk, Hulya (ELSEVIER SCIENCE BV, 2018)The pressure induced phase transition of beta-HgS is studied using an ab initio molecular dynamics simulation. The structural phase transformation from the zinc-blende structure to the NaCl-type structure (space group Fm ... -
Pressure-induced phase transitions and structural properties of CoF2: An ab-initio molecular dynamics study
Kurkcu, Cihan; Merdan, Ziya; Ozturk, Hulya (PERGAMON-ELSEVIER SCIENCE LTD, 2016)The crystal structure of CoF2 was studied theoretically using first-principles density functional theory (DFT) methods within the generalized gradient approximation (GGA) and local density approximation (LDA) under rapid ... -
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 ... -
Theoretical calculations of high-pressure phases of NiF2: An ab initio constant-pressure study
Kurkcu, Cihan; Merdan, Ziya; Ozturk, Hulya (MAIK NAUKA/INTERPERIODICA/SPRINGER, 2016)We have studied the structural properties of the antiferromagnetic NiF2 tetragonal structure with P4(2)/mnm symmetry using density functional theory (DFT) under rapid hydrostatic pressure up to 400 GPa. For the exchange ...
