Ground State and Electronic Properties of Americium (Am) Compounds

Abstract:

The ground state and electronic properties of americium pnictides (AmY, Y=N, P) has been calculated with the help of tight binding linear muffin-in-orbital (TB-LMTO) method within the local density approximation (LDA). From present study it is found that AmN and AmP are stable in NaCl – type structure under ambient pressure. The structural stability of AmN and AmP changes under the application of pressure. We predict a structural phase transition from NaCl-type to CsCl-type structure for these Am-pnictides in the pressure range of 36.0 – 47.0 GPa (AmN-AmP). Optimized lattice parameters, transition pressures and bulk modulus were obtained for the first time and analyzed in comparison with the available theoretical and experimental data.

• Periodical: Advanced Materials Research (Volume 1141)
• Pages: 176-179
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.1141.176
• Online since: August 2016
• Authors: Jagdeesh Pataiya*, Mahendra Aynyas, Chandrabhan Makode, Sankar P. Sanyal
• Keywords: Electronic Band Structure, Metallic, Structural Phase Transition

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