Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1810581 | Physica B: Condensed Matter | 2012 | 6 Pages |
Abstract
The high pressure structural, elastic and thermal properties of holmium pnictides HoX (X=N, P, As and Bi) were investigated theoretically by using an inter-ionic potential theory with modified ionic charge parameter. We have predicted a structural phase transition from NaCl (B1) to CsCl (B2)-type structure at pressure of 139 GPa for HoN, 52 GPa for HoP, 44 GPa for HoAs and 26 GPa for HoBi. Other properties, such as lattice constant, bulk modulus, cohesive energy, second and third-order elastic constants were calculated and compared with the available experimental and theoretical data. In order to gain further information the brittle behaviour of these compounds was observed. Some other properties like Shear modulus (G), Young's modulus (E), Poisson's ratio (ν), anisotropy factor (A), sound velocities, Debye temperature (θD) were calculated. The variation of elastic constants (C11 and C44) and Debye temperature (θD) with pressure was also presented.
Keywords
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Sanjay Bhajanker, Vipul Srivastava, Sankar P. Sanyal,