A first principles study on newly proposed (Ca/Sr/Ba)Fe2Bi2 compounds with their parent compounds |
| |
| Authors: | M Sundareswari D S Jayalakshmi E Viswanathan |
| |
| Institution: | Department of Physics, Sathyabama University, Chennai, India |
| |
| Abstract: | The structural, electronic, bonding and magnetic properties of newly proposed iron-based compounds viz., CaFe2Bi2, SrFe2Bi2, BaFe2Bi2 with their Fermi surface topology are reported here for the first time by means of first principles calculation. All these properties of newly proposed compounds are compared and analysed along with their respective parent compounds namely (Ca,Sr,Ba)Fe2As2. |
| |
| Keywords: | ‘122’ compounds Iron pnictides Fermi surface Magnetic moment |
|
|
