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Ab initio study on hypothetical silver nitride 

Deligöz, Engin; Çolakoğlu, Kemal; Çiftçi, Yasemin Öztekin (2008)
We perform the ab initio calculations based on norm-conserving pseudopotentials and density functional theory to investigate the structural, elastic, and thermodynamical properties for silver nitride (AgN) compound that ...
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Lattice dynamical properties of TcB 2 compound 

Deligöz, Engin; Çolakoǧlu, Kemal; Boğaz Özışık, Havva; Çiftçi, Yasemin Öztekin (Elsevier, 2012)
The structural, lattice dynamical, and some thermodynamical properties of TcB 2 in hexagonal AlB 2-type structure (Hex-I) (space group P6/mmm), hexagonal ReB 2-type structure (Hex-II) (space group P63/mmc) are investigated ...
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Lattice dynamical properties of ScB2, TiB2, and VB2 compounds 

Deligöz, Engin; Çolakoǧlu, Kemal; Çiftçi, Yasemin Öztekin (PERGAMON-ELSEVIER SCIENCE, 2009)
We have investigated the structural and lattice dynamical properties of XB2(X = Sc, V, Ti) by using first-principles total energy calculations. Specifically, the lattice parameters (a, c) of the stable phase, the bond ...

Physical properties of ternary thallium chalcogenes Tl2 MQ 3 (M = Zr, Hf; Q = S, Se, Te) via ab-initio calculations 

Ateşer, Engin; Okvuran, Oğuzhan; Çiftçi, Yasemin Öztekin; Özışık, Hacı; Deligöz, Engin (IOP Publishing, 2019)
We have reported a first principles study of structural, mechanical, electronic, and thermoelectric properties of the monoclinic ternary thallium chalcogenes T1(2)MQ(3) (M = Zr, Hf; Q = S, Se, Te). The electronic band ...
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Mechanical and phonon properties of the superhard LuB2, LuB4, and LuB12 compounds 

Deligöz, Engin; Özışık, Hacı; Çolakoǧlu, Kemal; Sürücü, Gökhan; Çiftçi, Yasemin Öztekin (Elsevier, 2011)
We have studied structural, elastic, and lattice dynamical properties of the LuB2, LuB4, and LuB12 compounds by using the plane-wave pseudopotential approach to the density-functional theory within the generalized gradient ...
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Thermo-elastic and lattice dynamical properties of Pd3X (X = Ti, Zr, Hf) alloys: an ab initio study 

Sürücü, Gökhan; Çolakoǧlu, Kemal; Çiftçi, Yasemin Öztekin; Özışık Boğaz, Havva; Deligöz, Engin (Springer, 2015)
Using the generalized-gradient approximation (GGA) based on density functional theory, we have reported the structural, mechanical, electronic, and lattice dynamical properties of the intermetallic compounds Pd3X (X = Ti, ...
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Structural, elastic, and lattice dynamical properties of YB2 compound 

Özışık, Hacı; Deligöz, Engin; Çolakoǧlu, Kemal; Çiftçi, Yasemin Öztekin (Elsevier, 2011)
In this work, density functional theory calculations on the structural, mechanical, lattice dynamical, and thermodynamical properties of YB2 in AlB2-type and monoclinic (C2/m) structures are reported. The local density ...
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Structural, elastic, electronic, and thermodynamic properties of PrN from first principles calculations 

Koçak, Belgin; Çiftçi, Yasemin Öztekin; Çolakoǧlu, Kemal; Deligöz, Engin (Elsevier, 2010)
First principles calculations are performed to investigate the structural, electronic, elastic, and thermodynamic properties of the less known PrN compound for various space groups: NaCl(Fm3m(2 2 5)), C5Cl(Pm3m (2 2 1)), ...
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The structural, electronic and optical properties of CdxZn1-xSe ternary alloys 

Korozlu, Nurettin; Çolakoǧlu, Kemal; Deligöz, Engin; Çiftçi, Yasemin Öztekin (Elsevier, 2011)
The structural, electronic, and optical properties of CdxZn1-xSe alloys are investigated using the first-principles plane-wave pseudopotential method within the LDA approximations. In particular, the lattice constant, bulk ...
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Structural, electronic and mechanical properties of W1-xTcxB2 alloys 

Sürücü, Gökhan; Çolakoǧlu, Kemal; Deligöz, Engin; Çiftçi, Yasemin Öztekin (Pergamon-Elsevier Science, 2013)
A detailed theoretical study of the structural, elastic and electronic properties of W1-xTcxB2 (x=0.1 similar to 0.9) alloys is carried out by using the plane-wave pseudopotential approach to the density-functional theory ...
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Çolakoǧlu, Kemal (17)Sürücü, Gökhan (4)Koçak, Belgin (3)... View MoreSubjectElastic Properties (7)Ab Initio Calculations (6)Thermodynamic Properties (6)Thermodynamical Properties (5)Electronic Band Structure (4)... View MoreDate Issued2010 - 2019 (16)2008 - 2009 (4)Full Text StatusWith Full Text (14)Without Full Text (6)

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