| DC Field | Value | Language |
|---|
| dc.contributor.author | Rykavets, Zlata | |
| dc.contributor.author | Ryzhak, Diana | |
| dc.contributor.author | Romaka, Lyubov | |
| dc.contributor.author | Shvachko, Sergiy | |
| dc.contributor.author | Romaka, Vitaliy | |
| dc.coverage.temporal | 23–25 листопада 2017 року | |
| dc.coverage.temporal | 23–25 November, 2017 | |
| dc.date.accessioned | 2018-04-12T13:05:14Z | - |
| dc.date.available | 2018-04-12T13:05:14Z | - |
| dc.date.created | 2017-12-23 | |
| dc.date.issued | 2017-12-23 | |
| dc.identifier.citation | Experimental and First-principle study of TmNiSb half-Heusler Alloy / Zlata Rykavets, Diana Ryzhak, Lyubov Romaka, Sergiy Shvachko, Vitaliy Romaka // Litteris et Artibus : proceedings, 23–25 November, 2017. — Lviv : Lviv Polytechnic Publishing House, 2017. — P. 262–264. — (6th International academic conference «Mechanical engineering, materials science, transport 2017» (MEMST-2017)). | |
| dc.identifier.isbn | 978-966-941-108-2 | |
| dc.identifier.uri | https://ena.lpnu.ua/handle/ntb/40377 | - |
| dc.description.abstract | The studied TmNiSb alloy crystallizes in the
MgAgAs structure type (half-Heusler phases) and according to
the results of DFT+U calculations revealed the presence of
bandgap (Eg = 359 meV). Spin magnetic moment of Tm atoms
equals 2.16 μB confirming its Tm3+ state. Calculated elastic
properties as well as Vickers hardness of TmNiSb alloy was
defined semi-empirically and equals 15.98 GPa.
Experimentally determined microhardness is within the range
of 2.90 – 4.06 GPa with the exception of TmNiSb phase. | |
| dc.format.extent | 262-264 | |
| dc.language.iso | en | |
| dc.publisher | Видавництво Львівської політехніки | |
| dc.publisher | Lviv Polytechnic Publishing House | |
| dc.relation.ispartof | Litteris et Artibus : матеріали, 2017 | |
| dc.relation.ispartof | Litteris et Artibus : proceedings, 2017 | |
| dc.relation.uri | http://elk.sourceforge.net | |
| dc.subject | thermoelectric material | |
| dc.subject | DFT+U modeling | |
| dc.subject | half- Heusler phases | |
| dc.subject | spin magnetic moment | |
| dc.subject | mechanical properties | |
| dc.title | Experimental and First-principle study of TmNiSb half-Heusler Alloy | |
| dc.type | Conference Abstract | |
| dc.rights.holder | © Національний університет “Львівська політехніка”, 2017 | |
| dc.contributor.affiliation | Lviv Polytechnic National University | |
| dc.contributor.affiliation | Ivan Franko National University of Lviv | |
| dc.format.pages | 3 | |
| dc.identifier.citationen | Experimental and First-principle study of TmNiSb half-Heusler Alloy / Zlata Rykavets, Diana Ryzhak, Lyubov Romaka, Sergiy Shvachko, Vitaliy Romaka // Litteris et Artibus : proceedings, 23–25 November, 2017. — Lviv : Lviv Polytechnic Publishing House, 2017. — P. 262–264. — (6th International academic conference «Mechanical engineering, materials science, transport 2017» (MEMST-2017)). | |
| dc.relation.references | [1] Pecharskyj V., Pankevich Y., Bodak O. Crystal structures of the compounds RNiSb with various rare earth elements // Sov. Phys. Crystallogr. (Engl. Transl.), Vol. 28 (1983) P.97-98 | |
| dc.relation.references | [2] Hartjes K., Jeitschko W. Crystal structures and magnetic properties of the lanthanoid nickel antimonides LnNiSb Ln = LaNd, Sm, Gd, Tm, Lu. // J. Alloys Compd., Vol. 226 (1995) P. 81-86. | |
| dc.relation.references | [3] All–electron full–potential linearised augmented– plane wave (FP–LAPW) code – http://elk.sourceforge.net. | |
| dc.relation.references | [4] Golesorkhtabar R., Pavone P., Spitaler J., Puschnig P., Draxl C. ElaStic: A tool for calculating secondorder elastic constants from first principles // Comp. Phys. Commun., Vol. 184 (2013) P.1861 | |
| dc.relation.references | [5] Momma K., Izumi F. VESTA: a three–dimensional visualization system for electronic and structural analysis – J. Appl. Crystallogr., Vol.41 (2008) P. 653 – 658 | |
| dc.relation.references | [6] Gulans A., Kontur S., Meisenbichler C., Nabok D., Pavone P., Rigamonti S., Sagmeister S., Werner U., Draxl C. E1983 Pecharskyj – a full-potential allelectron package implementing density-functional theory and many-body perturbation theory // J. Phys.: Condens. Matter., Vol. 26 (2014)— № 363202 | |
| dc.relation.references | [7] Rogl G., Sauerschnig P., Rykavets Z., Romaka V.V., Heinrich P., Hinterleitner B., Grytsiv A., Bauer E., Rogl P. (V,Nb)-doped half Heusler alloys based on {Ti,Zr,Hf}NiSn with high ZT // Acta Materialia, Vol.131 (2017) P.336-348 | |
| dc.relation.references | [8] Pugh S. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals // Philos. Mag. A, Vol.45 (1954) P.823. | |
| dc.relation.referencesen | [1] Pecharskyj V., Pankevich Y., Bodak O. Crystal structures of the compounds RNiSb with various rare earth elements, Sov. Phys. Crystallogr. (Engl. Transl.), Vol. 28 (1983) P.97-98 | |
| dc.relation.referencesen | [2] Hartjes K., Jeitschko W. Crystal structures and magnetic properties of the lanthanoid nickel antimonides LnNiSb Ln = LaNd, Sm, Gd, Tm, Lu., J. Alloys Compd., Vol. 226 (1995) P. 81-86. | |
| dc.relation.referencesen | [3] All–electron full–potential linearised augmented– plane wave (FP–LAPW) code – http://elk.sourceforge.net. | |
| dc.relation.referencesen | [4] Golesorkhtabar R., Pavone P., Spitaler J., Puschnig P., Draxl C. ElaStic: A tool for calculating secondorder elastic constants from first principles, Comp. Phys. Commun., Vol. 184 (2013) P.1861 | |
| dc.relation.referencesen | [5] Momma K., Izumi F. VESTA: a three–dimensional visualization system for electronic and structural analysis – J. Appl. Crystallogr., Vol.41 (2008) P. 653 – 658 | |
| dc.relation.referencesen | [6] Gulans A., Kontur S., Meisenbichler C., Nabok D., Pavone P., Rigamonti S., Sagmeister S., Werner U., Draxl C. E1983 Pecharskyj – a full-potential allelectron package implementing density-functional theory and many-body perturbation theory, J. Phys., Condens. Matter., Vol. 26 (2014)- No 363202 | |
| dc.relation.referencesen | [7] Rogl G., Sauerschnig P., Rykavets Z., Romaka V.V., Heinrich P., Hinterleitner B., Grytsiv A., Bauer E., Rogl P. (V,Nb)-doped half Heusler alloys based on {Ti,Zr,Hf}NiSn with high ZT, Acta Materialia, Vol.131 (2017) P.336-348 | |
| dc.relation.referencesen | [8] Pugh S. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals, Philos. Mag. A, Vol.45 (1954) P.823. | |
| dc.citation.conference | 7th International youth science forum «Litteris et Artibus» | |
| dc.citation.journalTitle | Litteris et Artibus : матеріали | |
| dc.citation.spage | 262 | |
| dc.citation.epage | 264 | |
| dc.coverage.placename | Львів | |
| dc.coverage.placename | Lviv | |
| Appears in Collections: | Litteris et Artibus. – 2017 р.
|
