148280

First-Principles Study on Electronic, Magnetic and Elastic Properties of CeN and PmN

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Last updated: 05 Jan 2025

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Abstract

We have used the Full Potential Nonorthogonal Local-Orbital minimum basis method (FPLO) in the Local Spin Density Approximation (LSDA) to calculate the electronic, magnetic and elastic properties of CeN and PmN. We predicted a phase transition from Rock Salt structure (RS) to Cesium Chloride (CsCl) structure in both CeN and PmN compounds at pressures of 40.7 and 42 GPa respectively. The half-metallic property was found only in the RS phase of PmN. The CeN compound, however, shows a metallic behavior in the two structures. The calculated bulk modulus of CeN and PmN in RS structure are 170.02 GPa and 154.6 GPa respectively. For PmN the energy gap and the total magnetic moment are 0.56 eV and 4 µB respectively.

DOI

10.21608/ejs.2015.148280

Volume

38

Article Issue

1

Related Issue

21775

Issue Date

2015-12-01

Receive Date

2014-12-02

Publish Date

2015-12-31

Page Start

23

Page End

32

Print ISSN

1012-5566

Online ISSN

2735-5640

Link

https://ejs.journals.ekb.eg/article_148280.html

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https://ejs.journals.ekb.eg/service?article_code=148280

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3

Type

Original Article

Type Code

1,717

Publication Type

Journal

Publication Title

Egyptian Journal of Solids

Publication Link

https://ejs.journals.ekb.eg/

MainTitle

First-Principles Study on Electronic, Magnetic and Elastic Properties of CeN and PmN

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Article

Created At

23 Jan 2023