Thermodynamical and thermoelectric properties of boron doped YPd{sub 3} and YRh{sub 3}

Journal Article · Mon May 23 00:00:00 EDT 2016 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4947981· OSTI ID:22608742

Dwivedi, Shalini; Sharma, Yamini ^[1]; Sharma, Ramesh ^[2]

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1. Theoretical Condensed Matter Physics Laboratory, Dept. of Physics, Feroze Gandhi College, Raebareli-229001 U.P (India)
2. Dept. of Physics, Mewar University, Chittorgarh-312901 Rajasthan (India)

The structural, electronic, thermal, and optical properties of borides of cubic non-magnetic YX{sub 3} (X=Rh, Pd) compounds and their borides which crystallize in the AuCu{sub 3} structure have been studied using the density functional theory (DFT). The flat bands in the vicinity of E{sub F} which are associated with superconductivity appear in YPd{sub 3} and YRh{sub 3} band structures. However, the B s-states enhance the flat band only in YRh{sub 3}B. The optical properties clearly show that boron insertion modifies the absorption and transmittance. The YX{sub 3} alloys and their borides exhibit valuable changes in the thermopower and ZT. It is observed that the properties of the Y-X intermetallics change significantly for the Y-Rh and Y-Pd alloys and the presence of single boron atom modifies the properties to a great extent.

• OSTI ID: 22608742
• Journal Information: AIP Conference Proceedings, Journal Name: AIP Conference Proceedings Journal Issue: 1 Vol. 1731; ISSN APCPCS; ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ABSORPTION
BORON ADDITIONS
DENSITY
DENSITY FUNCTIONAL METHOD
DOPED MATERIALS
INTERMETALLIC COMPOUNDS
OPTICAL PROPERTIES
PALLADIUM COMPOUNDS
RHODIUM COMPOUNDS
S STATES
SUPERCONDUCTIVITY
THERMODYNAMIC PROPERTIES
THERMOELECTRIC PROPERTIES
YTTRIUM COMPOUNDS