The Effect of Pressure on Electronic and Magnetic Properties of MnAs Crystal | Zendy

Farzad Moradiannejad | Zendy; S. Javad Hashemifar | Zendy; Hadi Akbarzadeh | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

The Effect of Pressure on Electronic and Magnetic Properties of MnAs Crystal

Author(s) -

Farzad Moradiannejad,

S. Javad Hashemifar,

Hadi Akbarzadeh

Publication year - 2013

Publication title -

journal of computational methods in physics

Language(s) - English

Resource type - Journals

eISSN - 2356-7287

pISSN - 2314-6834

DOI - 10.1155/2013/879164

Subject(s) - wien2k , hyperfine structure , condensed matter physics , density functional theory , electronic structure , crystal structure , crystal (programming language) , materials science , ambient pressure , chemistry , crystallography , local density approximation , atomic physics , computational chemistry , physics , thermodynamics , computer science , programming language

The structural, electronic, and magnetic properties of MnAs crystal are studied. The WIEN2k code which uses a full-potential LAPW program based on density functional theory with GGA is used for the calculations. At first, the total energy of a MnAs crystal in different lattices is calculated and the corresponding - diagram is drawn for two different structures of MnAs. The effect of pressuring this crystal is determined. The calculations confirm that, MnAs has the NiAs-type structure at ambient pressure but transforms into the zinc-blend structure of a specific pressure value. Also, the electric field gradient (EFG) and hyperfine field (HFF) at the nuclear site of Mn and As are calculated. Finally, the effect of pressure on EFG and HFF is studied

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research