<abstract xmlns="http://www.w3.org/1999/xhtml"><p>In the present paper structural and electronic properties of rare earth pnictides have been presented. The present calculation has been performed using self-consistent tight binding linear muffin tin orbital (TB-LMTO) method within the local density approximation (LDA). The studied compounds undergo a structural phase transition from NaCl-type structure to CsCl-type structure. The electronic band structure and density of states of the pnictides have been reported. The equilibrium lattice parameter a (Å), bulk modulus B (GPa), number of f-states at the Fermi level N<sub>f</sub> (states/Ry cell) and volume collapse of AmBi and CmBi have also been reported. The calculated equilibrium structural parameters are in good agreement with the available experimental results.</p></abstract>

In the present paper structural and electronic properties of rare earth pnictides have been presented. The present calculation has been performed using self-consistent tight binding linear muffin tin orbital (TB-LMTO) method within the local density approximation (LDA). The studied compounds undergo a structural phase transition from NaCl-type structure to CsCl-type structure. The electronic band structure and density of states of the pnictides have been reported. The equilibrium lattice parameter a (Å), bulk modulus B (GPa), number of f-states at the Fermi level Nf (states/Ry cell) and volume collapse of AmBi and CmBi have also been reported. The calculated equilibrium structural parameters are in good agreement with the available experimental results.

Electronic and structural properties of rare earth pnictides

Department of Basic Science, Technocrats Institute of Technology, Bhopal (MP) 462023,

Materials Science-Poland

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

{"article-title":"Electronic and structural properties of rare earth pnictides"}

In the present paper structural and electronic properties of rare earth pnictides have been presented. The present calculation has been performed using...

Electronic and structural properties of rare earth pnictides

Article Category: Research Article

Pubblicato online: 27 apr 2016

Pagine: 45 - 52

Ricevuto: 27 mar 2015

Accettato: 19 dic 2015

DOI: https://doi.org/10.1515/msp-2016-0026

Parole chiave
electronic band structure, electronic properties, phase transition, density of states

© 2016 Wroclaw University of Technology

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Electronic and structural properties of rare earth pnictides

Article Category: Research Article

Pubblicato online: 27 apr 2016

Pagine: 45 - 52

Ricevuto: 27 mar 2015

Accettato: 19 dic 2015

DOI: https://doi.org/10.1515/msp-2016-0026

Parole chiaveelectronic band structure, electronic properties, phase transition, density of states

© 2016 Wroclaw University of Technology

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Parole chiave
electronic band structure, electronic properties, phase transition, density of states