PROGRAM & ABSTRACT BOOK

12th International Nanoscience and Nanotechnology Conference

03-05 June 2016Elite Hotel Darıca - Kocaeli / Turkey

12th International Nanoscience and Nanotechnology Conference

Honorary Chair: Prof. Haluk Görgün (GTU President)

Chairman:

Prof. Bekir Aktaş (GTU)

General Coordinator: Dr. Doğan Erbahar (GTU Physics)

Organizing Commitee: Doğan Erbahar (GTU Physics) Ali C. Basaran (GTU Physics) Savaş Berber (GTU Physics) Fikret Yıldız (GTU Physics)

Zehra Durmuş (Bezmialem Vakıf Unv.) Hüseyin Kavas (Medeniyet Unv.)

Yıldız Uludağ (TUBITAK - BILGEM)

Program Commitee: Doğan Erbahar (GTU Physics) Ali C. Basaran (GTU Physics) Savaş Berber (GTU Physics)

Selmiye Alkan Gürsel (Sabanci Unv.)

National Executive Committee: Özgür Birer (Koç Unv.)

Raşit Turan (ODTU) Ahmet Oral (ODTU)

Recai Ellialtıoğlu (Hacettepe Unv.) Feridun Ay (Anadolu Unv.)

Ender Sıvacı (Anadolu Unv.) Süleyman Otçelik (Gazi Unv.)

Bekir Aktaş (GTU) Mehmet Ertuğrul (Atatürk Unv.)

Salih Okur (İzmir Katip Çelebi Ünv.) Atilla Aydınlı (Bilkent Unv.)

Oğuz Gülseren (Bilkent Unv.) Sezai Elagöz (Cumhuriyet Unv.)

Emir Baki Denkbaş (Hacettepe Unv.) Mustafa Ürgen (İstanbul Teknik Unv.) Oğuzhan Gürlü (İstanbul Teknik Unv.)

Çetin Arıkan (İstanbul Unv.) Volkan Özgüz( Sabancı Unv.) Mustafa Çulha (Yeditepe Unv.) Yalçın Elerman (Ankara Unv.)

Local Executive Committee: Doğan Erbahar (GTU Physics) Ali C. Basaran (GTU Physics) Mustafa Öztürk (GTU Physics)

Betül Canımkurbey (GTU Physics) Nurcan Doğan (GTU Physics)

Fatma Aksakal (GTU Chemistry) Hasan Pişkin (GTU Physics)

Burcu Toydemir (GTU Physics) Merve Ertaş (GTU Physics) Alican Aktaş (GTU Physics) Yasin Şale (GTU Physics)

İbrahim Saim Ünver (GTU Physics) Sinan Kazan (GTU Physics) Perihan Aksu (GTU Physics)

Maksut Maksutoğlu (GTU Physics)

Scientific Committee:

Foreign Chris Ewels (IMN, CNRS, France)

Lenar Tagirov (Kazan State University, Russia) Sam Tothill (Cranfield University ,UK) Marvin L. Cohen (UC Berkeley, USA)

Peter Lieberzeit ( Institut für Physikalische Chemie, Austria) Günther Reiss (Bielefeld University, Germany)

Sergey Tarrapov (Usikov Inst. of Radiophysics and Electronics, Ukraine) Local

Uygar Halis Tazebay (GTU, Turkey) Yıldız Uludağ (TÜBİTAK, Turkey)

Vefa Ahsen (GTU, Turkey) Savaş Berber (GTU, Turkey)

Doğan Erbahar (GTU, Turkey) Selmiye Alkan Gürsel (Sabancı University, Turkey)

İsrafil Şabikoğlu (Celal Bayar Unv., Turkey)

Contact e-mail: erbahar@gtu.edu.tr

7KH�)LUVW�3ULQFLSOHV�,QYHVWLJDWLRQ�RI�WKH�0$;�3KDVHV�:Q��6L&Q��Q ���DQG����&RPSRXQGV�C. KADEROGLU1*, G. SURUCU2,3, A. ERKISI4

1Department of Engineering Physics, Ankara University, 06100, Ankara, TURKEY 2Department of Electric and Energy, Ahi Evran University, 40100, Kirsehir, TURKEY.

3Photonics Application and Research Center, Gazi University, 06500, Ankara, TURKEY. 4Department of Physics Engineering, Hacettepe University, Beytepe, 06800, Ankara, TURKEY.

�$EVWUDFW�² MAX phase materials, a group of nano-layered ternary compounds with the general formula of Mn+1AXn

(n=1 to 3) where M is a transition metal, A is an A-group element and X is either carbon and/or nitrogen, have a special place in solid family because of their remarkable chemical, physical, electrical, and mechanical properties. By the reason of a growing interest in MAX materials research due to their potential technological applications, we have performed first-principles density functional theory (DFT) calculations to obtain the structural, mechanical, electronic and dynamical properties of Wn+1SiCn (n= 1 and 2)�compounds.

DFT calculations have been carried out using Vienna ab-initio simulation package (VASP) with the generalized gradient approximation (GGA) and projector-augmented wave (PAW) potentials.

The single crystal elastic constants were numerically estimated using strain-stress approach. The polycrystalline aggregate elastic parameters were calculated from the single elastic constants via the Voigt-Reuss-Hill approximations. Subsequently, the ductility and brittleness were characterized with the estimation from Pugh's rule (B/G). Additionally, the Debye temperature was calculated from the average elastic wave velocity obtained from bulk and shear moduli.

Additionally, bonding nature and related characteristics, such as Mulliken atomic charges and bond overlap populations were investigated. Furthermore, thermodynamic properties were calculated by means of phonon dispersion curves. The results were compared with available theoretical calculations.

Figure-1. Partial density of states W2SiC

*Corresponding author : cagil.kaderoglu@eng.ankara.edu.tr

[1]� B. Ghebouli et al., Trans. Nonferrous Met. Soc. China 25, 915

(2015).

[2]� M.W. Barsoum, Prog. Solid State Chem. 28, 201 (2000).

[3]� Z.J. Yang et al., J. Alloys Comp. 574, 573 (2013).

[4]� X. Hea, et al., Solid State Commun., 149, 564 (2009).

[5]� M.W. Barsoum, Physical Properties of the MAX Phases,

Encyclopedia of Materials: Science and Technology, Elsevier,

Amsterdam. 2006.

[6]� M. Dahlqvist et al., Phys. Rev. B. 81, 220102 (2010).

[7]� V. J. Keast et al., Phys. Rev. B, 80, 214113 (2009).

[8]� B. Manoun, et al., J. Alloys Comp., 505, 328 (2010).

12th International Nanoscience and Nanotechnology Conference POSTER Presentation

03-05 June 2016 Elite Hotel • Darıca-Kocaeli/Turkey

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