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Browsing Fizik / Physics by Author "Bağcı, Sadık"

Now showing items 1-20 of 36

Ab initio calculation of phonons for bulk TiC and TiC(001)(1X1)

Bağcı, Sadık; Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2009)

We present an ab initio pseudopotential study, within the local density functional approximation, of the structural and elastic properties of rock-salt TiC. The calculated structural and elastic properties of TiC are in ...
Ab initio calculation of phonons in bulk HfC and the HfC(001)(1 x 1) surface

Bağcı, Sadık; Tütüncü, Hüseyin Murat; Duman, Sıtkı (TAYLOR & FRANCIS LTD, 2011)

Structural, elastic and dynamical properties of the rock-salt HfC have been studied by employing an ab initio pseudopotential method and a linear response scheme, within the generalised gradient approximation. In addition ...
Ab initio calculation of the structural and dynamical properties of the zinc-blende BN and its (110) surface

Bağcı, Sadık; Duman, Sıtkı; Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE SA, 2006)

Using a first-principles pseudopotential technique, we have presented static and dynamical properties of cubic-BN. The calculated values for the lattice constant, bulk modulus, its first derivative and optical dielectric ...
Ab initio calculations of phonon dispersion relations for bulk and (110) surface of cubic InN

Bağcı, Sadık; Duman, Sıtkı; Tütüncü, Hüseyin Murat (PERGAMON-ELSEVIER SCIENCE LTD, 2009)

The ground-state structural and dynamical properties of cubic InN and its (110) surface are calculated using density functional theory within the generalised gradient approximation. A detailed discussion is provided for ...
Ab initio calculations of structural, electronic and dynamical properties of BeSe(110) surface

Bağcı, Sadık; Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 2007)

We use an ab initio pseudopotential method within the local-density approximation to determine the structural and electronic properties of the BeSe(1 1 0) surface. The relaxed geometry of this surface shows tilted cation-anion ...
Ab initio investigation of surface phonons on the (001) surface of ZrC

Bağcı, Sadık; Tütüncü, Hüseyin Murat (ELSEVIER, 2014)

We presented an ab initio pseudopotential study within the generalized gradient density functional approximation of the structural and electronic properties of the ZrC(0 0 1) surface. The calculated structural parameters ...
Atomic vibrations on the alpha-Sn(001)(2x1) surface investigated by a linear response scheme and an adiabatic bond-charge model

Tütüncü, Hüseyin Murat; Duman, Sıtkı; Bağcı, Sadık (AMERICAN PHYSICAL SOC, 2005)

The atomic geometry on the alpha-Sn(001)(2x1) surface have been studied by applying the ab initio pseudopotential method. Using the relaxed geometry, we studied atomic vibrations on this surface by employing two different ...
Electronic and optical properties of BBi and AlBi: Hybrid (YS-PBE0) function

Yalçın, Battal Gazi; Bağcı, Sadık; Üstündağ, Mehmet; Aslan, Metin (ELSEVIER SCIENCE BV, 2015)

III-Bi compounds have been extensively studied in recent years because of their wide applications in optoelectronic devices. Despite the wealth of theoretical works, optical properties of first two members of this family, ...
Electronic and phonon properties of BX(110) (X=P, As, and Sb) and BeY(110) (Y=S, Se, and Te) surfaces

Bağcı, Sadık; Duman, Sıtkı; Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2009)

We have employed the ab initio plane-wave pseudopotential method, within a local-density approximation of the density-functional theory, and a linear-response approach, to investigate structural, electronic and phonon ...
Electronic structure, phonons, and electron-phonon interaction in Mo3Si

Tütüncü, Hüseyin Murat; Bağcı, Sadık (AMER PHYSICAL SOC, 2010)

The structural, elastic, electronic, dynamical, and superconducting properties of cubic A15 Mo3Si have been investigated in detail by employing an ab initio pseudopotential method and a linear-response scheme within a ...
Electronic, elastic and phonon properties of the rock-salt LaSb and YSb

Tütüncü, Hüseyin Murat; Bağcı, Sadık (IOP PUBLISHING LTD, 2007)

The electronic structures and elastic constants of LaSb and YSb are calculated using an ab initio pseudopotential scheme within the generalized gradient approximation. In agreement with experimental studies, it has been ...
Electrons, phonons and superconductivity in rocksalt and tungsten-carbide phases of CrC

Tütüncü, Hüseyin Murat; Bağcı, Sadık; Akbulut Uludağ, Ahsen (IOP PUBLISHING LTD, 2012)

We present results of ab initio theoretical investigations of the electronic structure, phonon dispersion relations, electron-phonon interaction and superconductivity in the rocksalt and tungsten-carbide phases of CrC. It ...
First-principles studies of ground-state and dynamical properties of MgS, MgSe, and MgTe in the rocksalt, zinc blende, wurtzite, and nickel arsenide phases

Duman, Sıtkı; Bağcı, Sadık; Tütüncü, Hüseyin Murat (AMERICAN PHYSICAL SOC, 2006)

An ab initio pseudopotential method is used to investigate the structural and electronic properties of MgS, MgSe, and MgTe in the rocksalt, zinc blende, wurtzite, and nickel arsenide phases. It is found that rocksalt is ...
First-principles study of electronic and dynamical properties of the TaC(001) surface

Tütüncü, Hüseyin Murat; Bağcı, Sadık; Duman, Sıtkı (ELSEVIER SCIENCE SA, 2012)

We have made theoretical investigations of the atomic geometry, electronic structure, and lattice dynamics of the (001) surface of TaC. The atomic geometry and electronic structure for this surface have been calculated by ...
Ground state, phonon spectrum, and superconducting properties of the cubic inverse perovskite Sc3AlN

Bağcı, Sadık; Yalçın, Battal Gazi; Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2010)

We present results of ab initio theoretical investigations of the structural, elastic, and electronic properties of the cubic inverse perovskite Sc3AlN by employing the plane-wave pseudopotential method within the generalized ...
Ground state, phonon spectrum, and superconducting properties of the nonoxide perovskite CdCNi(3)

Bağcı, Sadık; Duman, Sıtkı; Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2008)

We have made theoretical investigations of the structural, elastic, electronic, lattice-dynamical, and superconducting properties of the antiperovskite compound CdCNi(3). The structural, elastic, and electronic properties ...
Ground-state properties of arsenic deposited on the Ge(001)(2 x 1) surface

Duman, Sıtkı; Bağcı, Sadık; Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 2006)

We present results of ab initio calculations of structural, electronic and vibrational properties of the Ge(001) surface covered with a monolayer of arsenic. The fully occupied pi(u) bonding and pi(g) antibonding electronic ...
Humidity sensing properties of steatite ceramic containing B2O3

Şentürk, Erdoğan; Duman, Sıtkı; Bağcı, Sadık; H. S. Soykan; Z. Aslanoglu (ELSEVIER SCIENCE SA, 2016)

In this work, humidity sensing properties of steatite ceramic containing with boron oxide was investigated. The properties of the sample were determined by using impedance measurements at a frequency of 10 kHz. These ...
Nonperipheral tetra phthalocyanines bearing alkyl chain moiety; Synthesis, characterization and fabrication of the OFET based on phthalocyanine

Bilgiçli, Ahmet Turgut; Yaraşır, Meryem Nilüfer; Kandaz, Mehmet; Cihat Ilik; Bağcı, Sadık (ELSEVIER SCIENCE SA, 2015)

In this study, the novel tetra nonperipherally alpha-substituted 1(4), 8(11), 15(18), 22(25)-tetrakis undecyloxy phthalocyanine derivatives bearing 1-dodecanol moiety, M{Pc[O-(CH2)(11)CH3)](4) (M=Co(2), Zn(3), Cu(4), ...
Organic/inorganic interfaced field-effect transistor properties with a novel organic semiconducting material

Ahmet Demir; Alparslan Atahan; Bağcı, Sadık; Metin Aslan; M. Saif Islam (TAYLOR & FRANCIS LTD, 2016)

A novel 1,3,4-oxadiazole-substituted benzo[b]triphenylene was synthesized by three-step synthetic procedure and OFET device design was successfully designed after theoretical calculations made using Gaussian software. For ...