Ab initio calculations of hardness, elastic, thermodynamic and electronic properties of metal nitrides (XN2; X = Pd, Pt) under high-pressure
Sign Up to like & getrecommendations! Published in 2019 at "Materials Research Express"
DOI: 10.1088/2053-1591/aafae5
Abstract: We have performed first-principles calculations within density functional theory (DFT) to investigate the hardness, elastic, thermodynamic and electronic properties of metal nitrides compounds (XN2; X = Pd, Pt) in pyrite structure, under high hydrostatic pressure.… read more here.
Keywords: hardness elastic; thermodynamic electronic; gpa; elastic thermodynamic ... See more keywords
Thermodynamic and electronic properties of ReN2 polymorphs at high pressure
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DOI: 10.1103/physrevb.104.184103
Abstract: high-pressure Ferenc Tasnádi, Florian Bock, Alena Ponomareva, Maxim Bykov, Saiana Khandarkhaeva, 4 Leonid Dubrovinsky, and Igor A. Abrikosov 2 1Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83, Linköping, Sweden. 2Materials Modeling and… read more here.
Keywords: physics; high pressure; thermodynamic electronic; pressure ... See more keywords
First principles investigation of the mechanical, thermodynamic and electronic properties of FeSn5 and CoSn5 intermetallic phases under pressure
Sign Up to like & getrecommendations! Published in 2017 at "Journal of the Korean Physical Society"
DOI: 10.3938/jkps.70.375
Abstract: For guidance for developing Fe/Co-Sn-based anode materials for lithium-ion batteries, the mechanical, thermodynamic and electronic properties of FeSn5 and CoSn5 intermetallic phases under pressures ranging from 0 to 30 GPa have been investigated systematically using… read more here.
Keywords: fesn5 cosn5; properties fesn5; mechanical thermodynamic; electronic properties ... See more keywords