arXivDaily arXiv每日学术速递 周一至周五更新
北美退伍军人节(Veterans Day),12 日无更新
arXiv 2006.16658cond-mat.supr-con
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复杂中的简单:W $_{20}$ O $_{58}$超导体的能带结构

Simplicity out of complexity: band structure for W$_{20}$O$_{58}$ superconductor

A. A. Slobodchikov, I. A. Nekrasov, N. S. Pavlov, M. M. Korshunov

摘要:

用密度泛函理论(DFT)在广义梯度近似(GGA)下研究了一种新发现的超导体--与W $_{20}$ O $_{58}$等价的缺氧氧化钨WO $_{2.9}$的能带结构、态密度和费米面.在这里,我们表明,尽管非常复杂的结构包含78个原子的单位晶胞,低能量能带结构是相当可行的。费米能级与每个自旋投影不超过10个能带交叉(当考虑自旋-轨道耦合时,甚至每个赝自旋投影9个能带),这些能带源自形成锯齿形链的钨原子的$d$轨道。

英文摘要:

The band structure, density of states, and the Fermi surface of a recently discovered superconductor, oxygen-deficient tungsten oxide WO$_{2.9}$ that is equivalent to W$_{20}$O$_{58}$, studied within the density functional theory (DFT) in the generalized gradient approximation (GGA). Here we show that despite the extremely complicated structure containing 78 atoms in the unit cell, the low-energy band structure is quite feasible. Fermi level is crossed by no more than 10 bands per one spin projection (and even 9 bands per pseudospin projection when the spin-orbit coupling is considered) originating from the $d$-orbitals of tungsten atoms forming zigzag chains.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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