- Metamagnetism in $Fe_3$Al Alloy
- Metamagnetism in $Fe_3$Al Alloy
- ㆍ 저자명
- Rhee. Joo-Yull,Lee. Young-Pak
- ㆍ 간행물명
- 韓國眞空學會誌
- ㆍ 권/호정보
- 2003년|12권 1호|pp.60-62 (3 pages)
- ㆍ 발행정보
- 한국진공학회
- ㆍ 파일정보
- 정기간행물|ENG| PDF텍스트
- ㆍ 주제분야
- 기타
In this study we report the results of ab initio first-principles calculations to investigate the possibility of metamagnetic behavior in Fe$_3$Al alloy. We used the WIEN2k package of full-potential linearized-augmented- plane-wave method within the local-spin-density approximation to the density-functional theory. The exchange-correlation functional is the generalized-gradient approximation of Perdew-Burke-Ernzerhof. The theoretical lattice constant, which is about 0.5% smaller than the experimental one, is obtained by minimizing the total energy. If the volume decreases about 9 % from the equilibrium, the total magnetic moment decreases abruptly from 4.6 $mu_{B}$/f.u. to 4.0 $mu_{B}$/f.u. Since this change is considerably large (∼14%), it is possible to measure by a simple high-pressure experiment at about 180 kbar.