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http://yadda.icm.edu.pl:80/baztech/element/bwmeta1.element.baztech-55e48b65-b81c-44e3-97ef-ecb34603c3d0

Czasopismo

Materials Science Poland

Tytuł artykułu

First principle calculation of structural, electronic and elastic properties of rare earth nitride

Autorzy Bhardwaj, P.  Singh, S. 
Treść / Zawartość http://www.materialsscience.pwr.wroc.pl/
Warianty tytułu
Języki publikacji EN
Abstrakty
EN First principle calculation of the electronic and elastic properties of CeN nitride, which crystallizes in the rock-salt structure, is reported in the present paper. The ground state properties, such as lattice constant (a0), bulk modulus (B) and its pressure derivative (B′) are reported. These results show good agreement with the experimental and other theoretical results. Besides, we have studied the Murnaghan’s equation of state, and used it to fit the theoretical electronic ground state energy and obtain thermodynamic quantities such as the bulk modulus. Furthermore the electronic band structure, total density of states and partial density of states of CeN are also discussed.
Słowa kluczowe
EN nitride   electronic properties   band structure   elastic properties  
Wydawca Springer
Czasopismo Materials Science Poland
Rocznik 2016
Tom Vol. 34, No. 4
Strony 715--720
Opis fizyczny Bibliogr. 21 poz., rys., tab.
Twórcy
autor Bhardwaj, P.
autor Singh, S.
  • High Pressure Research Lab., Department of Physics, Barkatullah University, Bhopal-462026, India
Bibliografia
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Uwagi
Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę (zadania 2017).
Kolekcja BazTech
Identyfikator YADDA bwmeta1.element.baztech-55e48b65-b81c-44e3-97ef-ecb34603c3d0
Identyfikatory
DOI 10.1515/msp-2016-0123