Theoretical investigation of the structural, electronic, and elastic properties of TM3In(TM = Pd and Pt) intermetallic compounds
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Original research
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We present a systematic study of the structural, elastic, and electronic properties of TM3In(TM = Pd and Pt) intermetallic compounds
using density functional theory via a full-potential linearized augmented plane wave approach in the context of the Perdew–Burke–
Ernzerhof generalized gradient approximation. We investigate the elastic constants, partial and total density of states (DOS), and charge
density. Our structural study shows that the compounds have a cubic crystal with space group Pm-3m in phase I. In addition, we
have calculated the formation energy and the DOS at the Fermi level [N(Ef)]. The results indicate that Pd3In is more stable than
Pt3In

Journal
Title
AIP Advances
Publisher
AMER INST PHYSICS
Publisher Country
United States of America
Indexing
Thomson Reuters
Impact Factor
1.579
Publication Type
Both (Printed and Online)
Volume
10
Year
2020
Pages
8