压力诱导的电子拓扑转变揭示hcp铁中关联效应的重要性
材料科学
2015-06-04 v1
摘要
我们发现Fe和Fe0.9Ni0.1的hcp相在约40 GPa的压力下经历了一次电子拓扑转变。费米面的这种拓扑变化通过我们实验中观察到的德拜声速、c/a晶格参数比和穆斯堡尔中心位移的异常行为表现出来。动态平均场方法的第一性原理模拟表明，该转变是由多电子效应诱导的。它在单电子计算中不存在，是hcp铁中关联效应的清晰标志。
引用
@article{arxiv.1204.5130,
title = {Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition},
author = {K. Glazyrin and L. V. Pourovskii and L. Dubrovinsky and O. Narygina and C. McCammon and B. Hewener and V. Schünemann and J. Wolny and K. Muffler and A. I. Chumakov and W. Crichton and M. Hanfland and V. Prakapenka and F. Tasnádi and M. Ekholm and M. Aichhorn and V. Vildosola and A. V. Ruban and M. I. Katsnelson and I. A. Abrikosov},
journal= {arXiv preprint arXiv:1204.5130},
year = {2015}
}