Hyperfine fields of impurities in ferromagnets
Hyperfine fields of impurities in ferromagnets
复制标题
铁磁体中的超精细杂质场
DOI：
10.1016/0304-8853(84)90021-0
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发表时间：
1984
影响因子：
2.7
通讯作者：
P. H. Dedetichs
中科院分区：
文献类型：
--
作者：
H. Akai;M. Akai;S. Blügel;R. Zeller;P. H. Dedetichs
近年来，随着绿色函数方法的发展，铁磁体中杂质超精细场的计算已变得可行。我们提出了最近的计算结果的sp-和d-杂质及其最近的邻居在铁。计算是基于密度泛函理论，确定自洽的杂质和相邻的主机原子的潜力。对于不太重的杂质（Z≤ 50），计算很好地产生了观察到的超精细场的趋势。根据计算结果，讨论了磁性杂质的局域磁矩与实验观测到的超精细场之间的强相关性。对于sp-杂质，超精细场随Z增大的所谓系统行为，可以用杂质s和主体d轨道之间的成键性质来解释。
Due to the development of Green's function methods the calculation of hyperfine fields of impurities in ferromagnets has become feasible in the last years. We present the result of recent calculations for sp- and d-impurities and their nearest neighbours in Fe. The calculations are based on density functional theory; the potentials of both the impurity and the neighboring host atoms are determined self-consistently. For not too heavy impurities (Z≤ 50) the calculations well produce the observed trend of hyperfine fields. We discuss the strong correlation between the local magnetic moment of magnetic impurities and the hyperfine field, observed experimentally, in the light of the calculations. For sp-impurities the so-called systematic behavior of the hyperfine field with increasingZis explained in terms of the bonding properties between impurity s and host d orbitals.