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S e p t e m b e r 2 4 - 2 6 , 2 0 1 8 | B u d a p e s t , H u n g a r y

OF EXCELLENCE

IN INTERNATIONAL

MEETINGS

alliedacademies.com

YEARS

Magnetic Materials 2018

Materials Science and Nanotechnology

|

Volume 2

MAGNETISM AND

MAGNETIC MATERIALS

2

nd

International Conference on

Satadeep Bhattacharjee et al., Mater Sci Nanotechnol 2018, Volume 2

IMPROVING THE STABILITY AND

MAGNETIC HARDENING OF FE16N2 BY

ALLOYING: A FIRST-PRINCIPLES STUDY

Satadeep Bhattacharjee

3

, Krishnamohan Thekkepat

1,2

Mahesh Chandran

3

, Pil-Ryung Cha

4

, Jung Hae Choi

1

and

Seung-Cheol Lee

1,2,3,4

1

Korea Institute of Science and Technology, Republic of Korea

2

KIST School, Korea University of Science and Technology, Republic of Korea

3

Indo-Korea Science and Technology Center, India

4

Kookmin University, Republic of Korea

F

e16N2, a promising alternative to rare-earth based permanent magnets,

has a very limited applicability due to its poor thermal stability. In this

work, using density functional theory method, we investigate the e ect of

alloying Fe16N2 with 3d and 4d transition group elements on its formation

energy and magnetic properties. Using a systematic screening procedure, we

propose Vanadium (V) as an excellent alloying element that improves both

the stability and magneto-crystalline anisotropy energy (MAE) of Fe16N2. Our

work demonstrates that alloying Fe16N2 with V improves its MAE by 20% in

addition to making it suitable for high temperature applications. Synergistic

improvement in both these performance parameters has not been reported

so far. Our work provides useful inputs for experimental e orts to stabilize

Fe16N2.

Satadeep Bhattacharjee holds a PhD degree in phys-

ics and has expertise in the broad area of materials

theory. Prior to joining the IKST, he worked in different

places such as University of Bonn (Germany), Univer-

sity of Liege (Belgium), Uppsala University (Sweden),

RIKEN (Japan) and University of Arkansas in USA. He

has authored 20+ research papers in reputed jour-

nals. Satadeep has worked in different areas such

as electronic structure of low dimensional correlated

systems, multiferroics, magnetic multilayers, mag-

netic molecules, magnetic memory materials etc.

His current research interest involves heterogeneous

catalysis.

satadeep.bhattacharjee@ikst.res.in

BIOGRAPHY