Published January 2018 | Version v1
Journal article

First-principles DFT study new series of ruthenates double perovskites Ba2MRuO6 with M = Sc, Ti, V, Cr, Mn, Fe and Co

  • 1. Department of Physics, College of Science, Qassim University, Buraidah 51452 (Saudi Arabia)

Description

Highlights: • Crystal, electronic, magnetic and optical properties are investigated in detail. • GGA and correlated GGA + U method within DFT are employed. • Ba2MRuO6 exhibit different electronic, magnetic and optical states.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.matchemphys.2017.10.065

Additional details

Identifiers

DOI
10.1016/j.matchemphys.2017.10.065;
PII
S0254058417308544;

Publishing Information

Journal Title
Materials Chemistry and Physics
Journal Volume
204
Journal Page Range
p. 350-360
ISSN
0254-0584
CODEN
MCHPDR

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
49096474
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
CARBON MONOXIDE; CRYSTALS; MAGNETIC MATERIALS; MAGNETIZATION; OPTICAL PROPERTIES; PEROVSKITES; RUTHENIUM COMPOUNDS
Descriptors DEC
CARBON COMPOUNDS; CARBON OXIDES; CHALCOGENIDES; MATERIALS; MINERALS; OXIDES; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; REFRACTORY METAL COMPOUNDS; TRANSITION ELEMENT COMPOUNDS

Optional Information

Copyright
Copyright (c) 2017 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.