Yazar "Çoban, Cansu" için listeleme
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Ab initio calculations on the structural and lattice dynamical properties of TmX (X=As, P) compounds
Çoban, Cansu; Çolakoğlu, Kemal; Çiftçi, Yasemin Öztekin (Pergamon-Elsevier Science Ltd, 2012)The structural and lattice dynamical properties of TmX (X=As, P) compounds were investigated using normconserving pseudopotentials within the generalized gradient approximation correction (GGA) of Perdew-Burke-Ernzerhof ... -
Ab initio calculations on the structural, mechanical, electronic, dynamic, and optical properties of semiconductor half-heusler compound zrpdsn
Çiftçi, Yasemin Öztekin; Çoban, Cansu (Walter de Gruyter GMBH, 2016)The structural, mechanical, electronic, dynamic, and optical properties of the ZrPdSn compound crystallising into the MgAgAs structure are investigated by the ab initio calculations based on the density functional theory. ... -
Bazı X2YZ tipi tam-heusler bileşiklerinin temel fiziksel özelliklerinin ilk ilkeler yöntemiyle incelenmesi
Şahin, Halil (2021)X2YZ (L21) yapıdaki Co2YGe(Y=Fe, Sc, Ti) tam-Heusler bileşiklerinin yapısal, elektronik, elastik, titreşimsel ve termodinamik özellikleri ilk ilkeler yöntemiyle incelenmiştir. E-V eğrileri kullanılarak öncelikle P=0 GPa'da ... -
First principles investigations on the mechanical and vibrational properties for the selected B2-AgRE (RE=Sc, Y, La, Ce) intermetallics
Çoban, Cansu; Çiftçi, Yasemin; Çolakoğlu, Kemal (Elsevier Science Bv, 2015)We calculated the lattice constants, bulk modulus and its pressure derivative, elastic constants of B2- based AgRE (RE=Sc, Y, La, Ce) compounds using first principles calculations based on density Functional theory (OFT). ... -
First principles predictions on mechanical and physical properties of HoX (X = As, P)
Çoban, Cansu; Çolakoğlu, Kemal; Çiftçi, Yasemin Öztekin (Elsevier Science Sa, 2011)In this study, the calculated results of the structural, electronic, elastic, lattice dynamic, and thermodynamic properties of HoX (X = As, P) in rocksalt structure (81) are presented. Ab initio calculations were performed ... -
First principles study of the structural, mechanical, phonon, optical, and thermodynamic properties of half-Heusler (HH) compound NbFeSb
Çoban, Cansu; Çolakoglu, Kemal; Çiftci, Yasemin Öztekin (Iop Publishing Ltd, 2015)We studied the structural, mechanical, phonon, optical and thermodynamic properties of MgAgAs-based NbFeSb compound by means of first-principles based on the density functional theory. The calculated lattice constant is ... -
The first principles study on the TmSb compound
Çoban, Cansu; Çolakoğlu, Kemal; Çiftçi, Yasemin Öztekin (Elsevier Science Bv, 2011)The structural, elastic, electronic, thermodynamic, and phonon properties of TmSb which crystallizes in NaCl (B1) phase were analyzed by performing ab-initio calculations based on density functional theory using the Vienna ... -
First-principles study on structural, electronic, elastic, phonon, and thermodynamic properties of tungsten oxide-based perovskite NaWO3
Çoban, Cansu (Springer, 2021)The structural, electronic, elastic, phonon, and thermodynamic properties of the cubic perovskite structure of the NaWO3 compound were calculated from first-principles studies based on density functional theory (DFT). These ... -
Kristal yapısı AuCu3 (L12) olan XY3 (X=Eu, Yb; Y=Pb, Pd) bileşiklerinin yapısal, elektronik, fonon ve termodinamik özelliklerinin ab initio hesaplamaları ile incelenmesi
Bürhan, Tuğba (Balıkesir Üniversitesi Fen Bilimleri Enstitüsü, 2019)AuCu3 (L12) yapıda kristalize olan XY3(X=Eu, Yb, Y=Pb, Pd) bileşiklerinin yapısal, elektronik, elastik, fonon ve termodinamik özellikleri ab-initio hesaplamalar yapılarak araştırılmıştır. Örgü sabiti, bulk modülü ve onun ... -
MgAgAs (C1b)yapıdaki XPtBi (X=Gd, Se, Y) bileşiklerinin yapısal elektronik, elastik, titreşimsel ve termodinamik özellikleri: Bir ilk prensipler çalışması
Güven, Cüneyt Şamil (Balıkesir Üniversitesi Fen Bilimleri Enstitüsü, 2018)MgAgAs (C1b) yapıda kristalleşen XPtBi bileşiklerinin yapısal, elektronik, elastik, titreşimsel ve termodinamik özellikleri ilk prensipler hesaplamaları ile araştırıldı. Örgü parametreleri, bulk modülü ve onun basınca göre ... -
The pressure dependence of structural, electronic, mechanical, vibrational, and thermodynamic properties of palladium-based heusler alloys
Çoban, Cansu (Walter de Gruyter GmbH, 2017)The pressure dependent behaviour of the structural, electronic, mechanical, vibrational, and thermodynamic properties of Pd2TiX (X=Ga, In) Heusler alloys was investigated by ab initio calculations. The lattice constant, ... -
Pressure effects on structural, electronic and anisotopic elastic properties of Si doped RuGe compound with different concentrations by first-principles calculations
Çiftçi, Yasemin Öztekin; Çoban, Cansu; Evecen, Meryem; Durukan, İlknur Kars (Elsevier Science SA, 2022)In this study, we have performed first-principles density functional theory (DFT) calculations to investigate pressure and composition effects on the structural, elastic, and electronic properties of silicon doped RuGe ternary ... -
The structural, elastic and thermodynamic properties of intermetallic compound CeGa2
Çiftçi, Yasemin; Çolakoğlu, Kemal; Çoban, Cansu; Deligöz, Engin (De Gruyter Open Ltd, 2012)The structural, elastic and thermodynamic characteristics of CeGa2 compound in the AlB2 (space group: P6/mmm) and the omega trigonal (space group: P-3m1) type structures are investigated using the methods of density ... -
The structural, elastic, electronic, thermodynamic and vibrational properties of protactinium monocarbide (pac) from first-principles calculations
Çiftçi, Yasemin Öztekin; Çoban, Cansu; Aydın, Sezgin; Tatar, Aynur; Evecen, Meryem (Amer Scientific Publishers, 2016)The structural, elastic, electronic, thermodynamic, and vibrational properties of protactinium monocarbide (PaC), which crystallizes in NaCl-type phase (B1), were studied by performing ab-initio calculations based on density ... -
Structural, electronic, elastic, optical, and vibrational properties of HfXSb (X = Co, Rh, Ru) half-Heusler compounds: an ab initio study
Çoban, Cansu; Çiftçi, Yasemin Öztekin; Çolakoǧlu, Kemal (Indian Assoc Cultivation Science, 2016)Structural, electronic, elastic, optical, and vibrational properties of ternary half-Heusler compounds HfXSb (X = Co, Rh, Ru) were studied with means of ab initio calculations based on the density functional theory. The ... -
The structural, electronic, elastic, vibrational, and thermodynamic properties of hoX (X=Sb, Bi)
Çoban, Cansu; Çolakoglu, Kemal; Çiftci, Yasemin Öztekin (Elsevier Science Bv, 2010)We have predicted the structural, electronic, elastic, vibrational, and thermodynamic characteristics of HoX (X=Sb, Bi) compounds in NaCl type (B1) structure through the method of density functional theory within the ...
