论文标题
复杂性的简单性：W $ _ {20} $ o $ $ _ {58} $ superconductor的频段结构
Simplicity out of complexity: band structure for W$_{20}$O$_{58}$ superconductor
论文作者
论文摘要
带状结构，状态的密度和Fermi表面，最近发现的超导体缺氧的氧化钨氧化钨wo $ _ {2.9} $等于W $ _ {20} $ o $ $ $ $ _ {58} $，在密度理论（dft）中被研究（dft）在通用理论（dft）中。在这里，我们表明，尽管在晶胞中包含78个原子的结构极为复杂，但低能带结构仍然非常可行。费米水平的每一个旋转投影不超过10个频段（当考虑自旋轨道耦合时，每个伪链蛋白投影甚至9个频段）源自形成锯齿形链的钨原子的$ d $ - 轨道。
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.
