Work

First Principles Investigation of Structural, Electronic and Mechanical Properties of NaVF 3

Year: 2024

Type: article

Abstract: In this research, first principles calculations of NaVF3 perovskite are performed using the Quantum ESPRESSO software package. The structural, electronic, magnetic, and mechanical properties of NaVF3 are computed. The electronic structure reveals that it exhibits half-metallic ferromagnetism, with conducting nature in the spin-up channel and non-conducting in the spin-down channel. The half-metallicity and ferromagnetism in NaVF3 are further confirmed by the integral magnetic moment of 3 μB. The mechanical properties analysis reveals that NaVF3 is mechanically stable, ductile, and displays significant elastic anisotropy.

Source: Orchid Academia Siraha

DOI: 10.3126/oas.v3i1.78150

Authors: Kshitiz Kshetri, Uchit Chaudhary, Ependra Tamang, Gopi Chandra Kaphle

Institution: Tribhuvan University

Language: English

Topic: Magnetic and transport properties of perovskites and related materials

Subfield: Electronic, Optical and Magnetic Materials

Field: Materials Science

Domain: Physical Sciences

Open Access status: diamond

OpenAlex ID: W4409967096

FWCI: 0.156

Cites:

Cited by: 2

Related to: 10