High-temperature symmetry breaking in the electronic band structure of the quasi-one-dimensional solid NbSe3.
High-temperature symmetry breaking in the electronic band structure of the quasi-one-dimensional solid NbSe3.
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DOI：
10.1103/physrevlett.87.196403
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发表时间：
2001-10
影响因子：
8.6
通讯作者：
J. Schäfer;E. Rotenberg;S. Kevan;P. Blaha;Ralph Claessen;Robert E. Thorne
中科院分区：
文献类型：
--
作者：
J. Schäfer;E. Rotenberg;S. Kevan;P. Blaha;Ralph Claessen;Robert E. Thorne
本文用同步光电子能谱方法研究了Peierls化合物NbSe_3的电子能带结构。确定了费米能级交叉和偏离一维行为。密度泛函计算的费米表面确认嵌套条件相关的两个相变。超结构周期为q = 0.44 A（-1）的链的沿着不稳定性导致电子能带的回折，费米能级交叉被抑制.这种对称性破缺是在波动制度中观察到的临界温度的两倍以上，在那里的相关长度大大减少。
The electronic band structure of the Peierls compound NbSe3 has been explored for its symmetries with microspot synchrotron photoemission. The Fermi level crossings and deviations from one-dimensional behavior are identified. Density-functional calculations of the Fermi surfaces confirm the nesting conditions relevant for the two phase transitions. The instability along the chains with superstructure periodicity q = 0.44 A(-1) induces a backfolding of the electronic bands, and the Fermi level crossings appear suppressed. This broken symmetry is observed in the fluctuation regime at more than twice the critical temperature, where the correlation length is strongly reduced.