Yazar "Merdan, Ziya" için listeleme
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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 ... -
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 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, electronic, elastic, phonon properties, and transition mechanism of wurtzite CdTe under high pressure
Yamcicier, Cagatay; Kürkçü, Cihan; Merdan, Ziya (Elsevier, 2020)Ab initio computational methods based on density functional theory to study the structural, electronic, elastic and phonon properties of Cadmium Telluride (CdTe) were applied. SIESTA method was used for calculations with ... -
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 ...
