Browsing by Author "Kurkcu, Cihan"
Now showing items 1-14 of 14
-
An Ab-initio Study of Structural and Electronic Properties of CaTe under High Pressure
Kurkcu, Cihan (MAIK NAUKA/INTERPERIODICA/SPRINGER, 2019)The crystal structure of the CaTe compound is studied up to 150 GPa under high hydrostatic pressure using the density functional theory (DFT) with the generalized gradient approximation (GGA). Pressure-volume relationships, ... -
The finite-size scaling study of four-dimensional Ising model in the presence of external magnetic field
Merdan, Ziya; Kurkcu, Cihan; Ozturk, Mustafa K. (AMER INST PHYSICS, 2014)The four-dimensional ferromagnetic Ising model in external magnetic field is simulated on the Creutz cellular automaton algorithm using finite-size lattices with linear dimension 4 <= L <= 8. The critical temperature value ... -
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 ... -
High-pressure structural phase transitions, electronic propertie and intermediate states of CaSe
Kurkcu, Cihan (CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS, 2019)In this study, ab initio calculations have been carried out to understand the effect of extreme external pressure on the crystal structure of CaSe. The crystal structure of CaSe, a calcium chalcogen, is studied using density ... -
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 ... -
Pressure-induced phase transitions, electronic, elastic and vibrational properties of zinc oxide under high pressure
Kurkcu, Cihan; Merdan, Ziya; Yamcicier, Cagatay (INDIAN ASSOC CULTIVATION SCIENCE, 2019)In this work, the crystal structure of the ZnO was studied under high hydrostatic pressure using ab initio calculations. Pressure-volume relationships and structural transitions in ZnO were investigated using Siesta method. ... -
Structural and electronic properties of BiOF with two-dimensional layered structure under high pressure: Ab initio study
Canpolat, Mehmet; Kurkcu, Cihan; Yamcicier, Cagatay; Merdan, Ziya (PERGAMON-ELSEVIER SCIENCE LTD, 2019)In this work, the crystal structure of the BiOF is studied under high hydrostatic pressure using ab initio calculations. Pressure-volume relationships and structural transitions are investigated using Siesta method. A ... -
Structural evolution and electronic properties of CaS: An ab initio study
Kurkcu, Cihan; Yamcicier, Cagatay; Kurban, Mustafa (ELSEVIER SCIENCE BV, 2019)CaS crystallizes in cubic NaCl (B1) type structure with symmetry Fm (3) over barm. In this work, the structural and electronic properties of CaS were investigated by considering the Density Functional calculations within ... -
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 ... -
Structural phase transition and electronic properties of CaO under high pressure
Kurkcu, Cihan; Merdan, Ziya; Yamcicier, Cagatay (IOP PUBLISHING LTD, 2018)The crystal structure of the CaO compound is studied up to 300 GPa under high hydrostatic pressure using the density functional theory (DFT) with the generalized gradient approximation (GGA). Pressure-volume relationships, ... -
A study of structural phase transitions and optoelectronic properties of perovskite-type hydride MgFeH3: ab initio calculations
Kurban, Mustafa; Kurkcu, Cihan; Yamcicier, Cagatay; Goktas, Fahrettin (IOP PUBLISHING LTD, 2019)In this study, the structural phase transition and optoelectronic properties of perovskite-hydride MgFeH3 under high pressure have been performed by ab initio calculations based on GGA-PBE functional. The phase transitions ... -
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 ...
