Ab initio study of Y3AlZ (Z = B, C, N, O)

Rajarajan, A. K.; Ramakrishnan, S.; Garde, C. S.; Ghule, A. S.; Pandey, B.; SINGH, SURJEET; Ghule, S. S.

dc.contributor.author	Ghule, A. S.	en_US
dc.contributor.author	Ghule, S. S.	en_US
dc.contributor.author	Garde, C. S.	en_US
dc.contributor.author	Pandey, B.	en_US
dc.contributor.author	Ramakrishnan, S.	en_US
dc.contributor.author	SINGH, SURJEET	en_US
dc.contributor.author	Rajarajan, A. K.	en_US
dc.coverage.spatial	Hisar, Haryana, India	en_US
dc.date.accessioned	2021-02-05T06:14:26Z
dc.date.available	2021-02-05T06:14:26Z
dc.date.issued	2019-07	en_US
dc.identifier.citation	DAE Solid State Physics Symposium 2018	en_US
dc.identifier.isbn	9780740000000	en_US
dc.identifier.issn	-	en_US
dc.identifier.uri	http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/5607
dc.identifier.uri	https://aip.scitation.org/doi/abs/10.1063/1.5113210	en_US
dc.description.abstract	Electronic band structure calculations have been carried out for Y3AlZ (Z=B, C, N, O) system to check the possibility of new superconductor. The band structure calculations were carried out by augmented plane wave and local orbital (APW+LO) method using WIEN2K software, based on density functional theory (DFT). Lattice parameters of Y3AlZ system were found with volume optimization. It is observed that lattice parameter decreases with decrease in atomic radii of Z interstitials. Maximum density of states at Fermi level is found for Y3AlB among Y3AlZ system	en_US
dc.language.iso	en	en_US
dc.publisher	AIP Publishing	en_US
dc.subject	Physics	en_US
dc.subject	2019	en_US
dc.title	Ab initio study of Y3AlZ (Z = B, C, N, O)	en_US
dc.type	Conference Papers	en_US
dc.contributor.department	Dept. of Physics	en_US
dc.identifier.doi	https://doi.org/10.1063/1.5113210	en_US
dc.identifier.sourcetitle	DAE Solid State Physics Symposium	en_US
dc.publication.originofpublisher	Foreign	en_US