Abstract
The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA) is used to study the electronic structure and high pressure behaviour of thulium compounds TmX (X= P, As, S, and Se). We also predict a structural phase transition from NaCl to CsCl-type structure. The transition pressures were found to be 40.0, 31.0, 58.0 and 49.0 GPa, for TmP, TmAs, TmS and TmSe respectively. Apart from this, the lattice parameter (a0), bulk modulus (B0), band structure and density of states are calculated. From energy band diagram, it is observed that these compounds exhibit weak metallic character. The calculated values of lattice parameters and bulk modulus are of reasonable agreement with available data.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Journal of Metastable and Nanocrystalline Materials
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
