Czasopismo
Tytuł artykułu
Warianty tytułu
Języki publikacji
Abstrakty
We have predicted the phase transition pressure (PT)and high pressure behavior of Zirconium and Niobium carbide (ZrC, NbC). The high pressure structural phase transitions in ZrC and NbC has been studied by using a two body inter-ionic potential model, which includes the Coulomb screening effect, due to the semi-metallic nature of these compounds. These transition metal carbides have been found to undergo NaCl (B1) to CsCl (B2)-type structural phase transition, at high pressure like other binary systems. We predict such structural transformation in ZrC and NbC at a pressure of 98GPa and 85GPa respectively. We have also predicted second order elastic constant and bulk modulus. The present theoretical work has been compared with the corresponding experimental data and prediction of LAPW and GGA and LDA theories.
Słowa kluczowe
Czasopismo
Rocznik
Tom
Numer
Strony
102-107
Opis fizyczny
Daty
wydano
2009-03-01
online
2009-01-08
Twórcy
autor
- Department of Physics, Sadhu Vaswani College, Sant Hirdaram Nagar, Bhopal, 462 020, India
autor
- Department of Physics, Sadhu Vaswani College, Sant Hirdaram Nagar, Bhopal, 462 020, India, aynyas@rediffmail.com
autor
- Department of Physics, Barkatullah University, Bhopal, 462 026, India
Bibliografia
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- [18] V.P. Zhukov, Transition Metal Carbides and Nitrides (Academic, New York, 1971)
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11534-008-0117-y