A First – Principles Studies NdP
| dc.contributor.author | Çiftçi, Y.O. | |
| dc.contributor.author | Çolakoğlu, K. | |
| dc.contributor.author | Deligöz, Engin | |
| dc.contributor.author | ÖZIŞIK, H. | |
| dc.date.accessioned | 2023-12-04T11:38:30Z | |
| dc.date.available | 2023-12-04T11:38:30Z | |
| dc.date.issued | 2010 | |
| dc.department | Sabire Yazıcı Fen Edebiyat Fakültesi | |
| dc.description.abstract | We have studied the structural, elastic, electronic, thermodynamics and vibrational properties of NdP based on the the plane-wave pseudopotential approach to the density-functional theory within the GGA apraximation implemented in VASP (Viena Ab-initio Simulation Package). Specifically, lattice constant, bulk modulus, pressure derivative of bulk modulus (B’), phase transition pressure (Pt ) from NaCl (B1) structure to CsCl (B2) structure, second-order elastic constants(Cij ) and related quantities, cohesive energy, Debye temperature (?D ), melting temperature (Tm ), band structures, and phonon dispersion curves are calculated and compared with the available experimental and other theoretical data. The most of our results presented here are obtained for the first time for NdP. | |
| dc.identifier.startpage | 218 | en_US |
| dc.identifier.uri | https://hdl.handle.net/20.500.12451/11326 | |
| dc.identifier.volume | 16 | en_US |
| dc.language.iso | en | |
| dc.publisher | Gazi Universty | |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.subject | Principles Studies NdP | |
| dc.title | A First – Principles Studies NdP | |
| dc.type | Article |
