Theoretical research on structural, electronic, mechanical, lattice dynamical and thermodynamic properties of layered ternary nitrides Ti2AN (A = Si, Ge and Sn)

CANDAN, ABDULLAH; Akbudak, S.; Uğur; Uğur, G.

doi:10.1016/j.jallcom.2018.08.286

Theoretical research on structural, electronic, mechanical, lattice dynamical and thermodynamic properties of layered ternary nitrides Ti2AN (A = Si, Ge and Sn)

Yazarlar (4)

Prof. Dr. Abdullah CANDAN Kırşehir Ahi Evran Üniversitesi, Türkiye

S. Akbudak
Adiyaman Üniversitesi, Türkiye

Uğur
Gazi Üniversitesi, Türkiye

G. Uğur
Gazi Üniversitesi, Türkiye

Makale Türü	Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı	Journal of Alloys and Compounds (Q1)
Dergi ISSN	0925-8388 Dergi Bilgileri (2019)
Dergi Tarandığı Indeksler	SCI-Expanded
Makale Dili	İngilizce	Basım Tarihi	01-2019
Cilt / Sayı / Sayfa	771 / 1 / 664–673	DOI	10.1016/j.jallcom.2018.08.286
Makale Linki	https://linkinghub.elsevier.com/retrieve/pii/S0925838818331815
UAK Araştırma Alanları	Malzeme Fiziği

Özet

First-principles density functional theory (DFT) calculations within generalized gradient approximation (GGA) are carried out to investigate the structural, electronic, mechanical, lattice dynamical and thermodynamic properties of Ti 2 AN (A= Si, Ge and Sn) MAX phases. The optimized geometrical parameters such as lattice constants (a, c) and the internal coordinates have been calculated. Electronic band structure and corresponding density of states (DOS) have been obtained. The analysis of the band structures and density of states have shown that these compounds are electrical conductors. The elastic constants have been ascertained using the stress-strain method. The isotropic elastic moduli, known as bulk modulus (B), shear modulus (G), young's modulus (E), poisson's ratio (ν), vickers hardness (H v) and linear compressibility coefficients (α) have been studied within framework of the Voigt–Reuss–Hill …

Anahtar Kelimeler

Science Direct

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
Scopus	58
Google Scholar	65

Theoretical research on structural, electronic, mechanical, lattice dynamical and thermodynamic properties of layered ternary nitrides Ti2AN (A = Si, Ge and Sn)

Dergi Adı	JOURNAL OF ALLOYS AND COMPOUNDS
Kısa Adı	J ALLOY COMPD
Yayıncı	ELSEVIER SCIENCE SA
Açık Erişim	Hayır
ISSN	0925-8388
E-ISSN	1873-4669
Wos Quartile	Q1
Scopus Quartile	Q1
Tarandığı Indeksler	SCIE , Scopus
WoS Kategoriler	CHEMISTRY, PHYSICAL \| MATERIALS SCIENCE, MULTIDISCIPLINARY \| METALLURGY & METALLURGICAL ENGINEERING
Scopus Kategoriler	MATERIALS CHEMISTRY \| MECHANICAL ENGINEERING \| MECHANICS OF MATERIALS \| METALS AND ALLOYS

Theoretical research on structural, electronic, mechanical, lattice dynamical and thermodynamic properties of layered ternary nitrides Ti2AN (A = Si, Ge and Sn)

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