Synthesis, physical properties and band structure of non-magnetic Y3AlC

被引：8

作者：

Ghule, S. S. ^{[1
]}

Garde, C. S. ^{[2
]}

Ramakrishnan, S. ^{[3
]}

Singh, S. ^{[4
]}

Rajarajan, A. K. ^{[5
]}

Laad, Meena ^{[6
]}

机构：

[1] Bharati Vidyapeeth Deemed Univ, Coll Engn, Pune Satara Rd, Pune 411043, Maharashtra, India

[2] Vishwakarma Inst Informat Technol, S 2-3-4 Kondhwa Bk, Pune 411048, Maharashtra, India

[3] Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India

[4] Indian Inst Sci Educ & Res, Dr Homi Bhabha Rd, Pune 411008, Maharashtra, India

[5] Bhabha Atom Res Ctr, Bombay 400085, Maharashtra, India

[6] Symbiosis Int Univ, Symbiosis Inst Technol, Pune 412115, Maharashtra, India

来源：

PHYSICA B-CONDENSED MATTER | 2016年 / 498卷

关键词：

Electrical resistivity; Magnetic susceptibility; Specific heat; Band structure calculations; Carbide; PEROVSKITE CARBIDES; ELASTIC PROPERTIES; CRYSTAL-STRUCTURE; 1ST PRINCIPLES; AL; RESISTIVITY; THERMOPOWER; METAL; GA; SN;

D O I：

10.1016/j.physb.2016.06.027

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Y3AlC has been synthesized by arc melting and subsequent annealing. Rietveld analysis of the powder x-ray diffraction (XRD) data confirms cubic Pm-3m structure. Electrical resistivity (rho) of Y3AlC exhibits metallic behaviour. No sign of superconductivity is observed down to the lowest measurement temperatures of 4.2 K in rho, and 2 K in magnetic susceptibility (chi) and specific heat (C-p) measurements. The value of the electronic specific heat coefficient gamma is 1.36 mJ/K-2 mol from which the density of states (DOS) at the Fermi energy (E-F) is obtained as 0.57 states/eV.unit cell. The value of Debye temperature theta(D) is estimated to be 315 K. Electronic band structure calculations of Y3AlC reveal a pseudo-gap in the DOS at E-F leading to a small value of 0.5 states/eV unit cell which matches quite well with that obtained from gamma. Non-zero value of the DOS indicates metallic behaviour as confirmed by our rho data. Covalent and ionic bonding seem to co-exist with metallic bonding in Y3AlC as indicated by van Arkel-Ketelaar triangle for Zintl-like systems. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：98 / 103

页数：6

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