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Browsing Fakülteler / Faculties by Author "Yalçın, Battal Gazi"

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DFT studies for optoelectronic properties of pure l-alanine and doped with Li

H. A. Rahnamaye Aliabad; Z. Mojarradi; Yalçın, Battal Gazi (SPRINGER, 2016)

Structural and optoelectronic properties of the pure l-alanine (CH3CHNH2COOH) and substituted with Li in two different sites CH3CHNHLiCOOH (basic) and CH3CHNH2COOLi (acidic) are systematically investigated by the density ...
Effects of IIIB transition metals on optoelectronic and magnetic properties of HoMnO3: A first principles study

Yalçın, Battal Gazi (IOP PUBLISHING LTD, 2015)

The optoelectronic and magnetic properties of pure HoMnO3 and Ho0.67T0.33MnO3 (T = La, Y) alloys in hexagonal phase are theoretically investigated by using the first-principles calculations. The investigations are performed ...
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, ...
Ground state properties and thermoelectric behavior of Ru(2)VZ (Z=Si, ge, sn) half-metallic ferromagnetic full-Heusler compounds

Yalçın, Battal Gazi (ELSEVIER, 2016)

The ground state properties namely structural, mechanical, electronic and magnetic properties and thermoelectric behavior of Ru(2)VZ (Z =Si, Ge and Sn) half-metallic ferromagnetic full-Heusler compounds are systematically ...
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 ...
Investigation of structural, mechanical, electronic, optical, and dynamical properties of cubic BaLiF3, BaLiH3, and SrLiH3

Yalçın, Battal Gazi; Bahadir Salmankurt; Duman, Sıtkı (IOP PUBLISHING LTD, 2016)

The structural, mechanical, electronic, optical, and dynamical properties of BaLiF3, BaLiH3, and SrLiH3 cubic perovskite materials are theoretically investigated by using first principles calculations. Obtained results are ...
Optical Properties of BN and BBi Compounds

Yalçın, Battal Gazi; Üstündağ, Mehmet; Aslan, Metin (POLISH ACAD SCIENCES INST PHYSICS, 2014)

We have investigated optical properties which are very important for optoelectronic devices, such as laser modulators, photo detectors, optical amplifier and high efficient solar cells of BN and BBi using the density ...
Structural and electronic properties of Ga1-xInxAs1-yNy quaternary semiconductor alloy on GaAs substrate

Aslan, Metin; Üstündağ, Mehmet; Yalçın, Battal Gazi (ELSEVIER SCIENCE SA, 2012)

We have presented structural and electronic properties of binary (GaAs, GaN and InAs), ternary (Ga1-xInxAs and GaAs1-yNy) and quaternary (Ga1-xInxAs1-yNy) semiconductor alloys by using a first-principles pseudopotential ...
Structural and electronic properties of InNxP1-x alloy in full range (0 <= x <= 1)

Metin Aslan; A. H. Reshak; Yalçın, Battal Gazi; Bağcı, Sadık; Üstündağ, Mehmet (TAYLOR & FRANCIS LTD, 2016)

We have performed first-principles method to investigate structural and electronic properties of InNxP1-x ternary semiconductor alloy in full range (0 <= x <= 1) using density functional theory. We have used modified ...
Structural, electronic, optical, vibrational and transport properties of CuBX2 (X = S, Se, Te) chalcopyrites

Bağcı, Sadık; Yalçın, Battal Gazi; H. A. Rahnamaye Aliabad; Duman, Sıtkı; B. Salmankurt (ROYAL SOC CHEMISTRY, 2016)

The structural, electronic and optical properties of CuBX2 (X = S, Se, Te) chalcopyrite semiconductors have been studied using the full-potential (linearized) augmented plane-wave (FP(L) APW) method based on the density ...
Structural, mechanical and thermodynamic properties of N-dope BBi compound under pressure

Yalçın, Battal Gazi (SPRINGER HEIDELBERG, 2016)

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Structural, mechanical, electronic and optical properties of BBi, BP and their ternary alloys BBi1-xPx

Bağcı, Sadık; Yalçın, Battal Gazi (IOP PUBLISHING LTD, 2015)

The ground state properties of BBi, BP and their ternary alloys BBi1-xPx are reported using first-principles calculations based on density functional theory (DFT). The modified Becke-Johnson (mBJ) potential together with ...
The first-principles study on physical properties and phase stability of Boron-V (BN, BP, BAs, BSb and BBi) compounds

Üstündağ, Mehmet; Yalçın, Battal Gazi (ELSEVIER, 2014)

The physical properties of Boron - group V compounds have been investigated systematically by using density functional theory, based on the full-potential linearized augmented plane-wave method. Generalized gradient ...
The optical spectrum of ternary alloy BBi1-xAsx

Yalçın, Battal Gazi; M. Aslan; M. H. Ozcan; H. A. Rahnamaye Aliabad (IOP PUBLISHING LTD, 2016)

Among the III-V semiconductors, boron BBi and BAs as well as their alloys have attracted both scientific and technological interest in recent years. We present a calculation of the structural, electronic and optical ...
The Optoelectronic Properties of Sb Doped BBi Compounds

Üstündağ, Mehmet; Yalçın, Battal Gazi; Aslan, Metin; Bağcı, Sadık (POLISH ACAD SCIENCES INST PHYSICS, 2016)

We have determined structural, electronic and optical properties of BBi1-xSbx alloy by using density functional theory based on the full potential linearized augmented plane wave method. For the exchange correlation ...
Thermoelectric properties of stannite-phase CuZn(2)AS(4) (CZAS; A=Al, Ga and In) nanocrystals for solar energy conversion applications

Yalçın, Battal Gazi (TAYLOR & FRANCIS LTD, 2016)

The current study aimed to comprehensively investigate structural, electronic, optical and transport properties of quaternary semiconductor CuZn(2)AS(4) (CZAS; A= Al, Ga and In) nanocrystals (NCs). Based on energy ...