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第一原理计算在铁（镍）基超导体中的应用
  • ISSN号：0379-4148
  • 期刊名称：《物理》
  • 时间：0
  • 分类：O511[理学—低温物理;理学—物理] TM912[电气工程—电力电子与电力传动]
  • 作者机构：[1]中国科学院物理研究所北京凝聚态物理国家实验室,北京100190
  • 相关基金：国家自然科学基金（批准号：10821403）、中国科学院创新方向性项目、中国国家重点基础研究发展计划（批准号：2007CB925000）、国际科技合作计划（2008DFB00170）资助项目
作者： 徐刚[1], 戴希[1], 方忠[1]
关键词： 第一原理计算, 铁(镍)基超导体, LaOFeAs, AFe(Ni)2As2, LIFEAS, α—FeSe, 磁不稳定性, first principles calculations, iron（nickeD-based superconductors, LaOFeAs, AFe（Ni）2As2, LiFeAs,α-FeSe, magnetic instability
中文摘要：

铁（镍）基超导体的发现引起了凝聚态物理界的广泛兴趣和关注．第一原理计算以其快速、准确等优点在铁（镍）基超导研究过程中做出了巨大贡献．文章主要介绍了第一原理计算在该研究领域所取得的成果，其中包括电子结构计算，磁性基态的寻找和解释，声子谱和电声子耦合，以及关联效应在该类材料中的作用等．文章还简略介绍了目前的研究现状以及存在的问题，分析了未来的研究方向和可能的解决办法．

英文摘要：

Iron （nickel）-based superconductors have attracted tremendous interest recently in the field of condensed matter physics, and large number of impressive works have been done both experimentally and theoretically. In particular, first-principles calculations have played an important role in the understanding of the physics. In this paper we review some basic aspects of this new class of high critical temperature superconductors, including the basic electronic structure, ground state and magnetic instability, phonon spectrum, and electron-phonon coupling, as well as the role of correlations in these compounds. We also discuss some of the diffculties encountered in first principles calculations and their possible solutions.

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期刊信息
  • 《物理》
  • 北大核心期刊（2011版）
  • 主管单位:中国科学院
  • 主办单位:中国物理学会 中国科学院物理研究所
  • 主编：朱星
  • 地址：北京603信箱
  • 邮编：100190
  • 邮箱：physics@aphy.iphy.ac.cn
  • 电话：010-82649470 82649266
  • 国际标准刊号：ISSN：0379-4148
  • 国内统一刊号：ISSN：11-1957/O4
  • 邮发代号:2-805
  • 获奖情况:
  • 2002年中国科协优秀期刊三等奖,2000年度中科院优秀期刊一等奖,2001年入选“中国期刊方阵”,中国期刊方阵“双效”期刊
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  • 被引量:8902