The Group V and VI transition metals share a common Fermi surface feature of hole ellipsoids at the N point in the Brillouin zone. In clear contrast to the other Fermi surface sheets, which are purely of d character, these arise from a band that has a significant proportion of p character. By performing local density approximation (LDA), generalized gradient approximation (GGA), strongly constrained and appropriately normed (SCAN) meta-GGA, and GW approximation calculations, we find that the p character part of this band (and therefore the Fermi surface) is particularly sensitive to the exchange-correlation approximation. LDA and GGA calculations inadequately describe this feature, predicting N hole ellipsoid sizes that are consistently too large in comparison to various experimental measurements, whereas quasiparticle self-consistent GW calculations predict a size that is slightly too small (and non-self-consistent GW calculations that use an LDA starting point predict a size that is much too small). Overall, for the metals tested here, SCAN provides the most accurate Fermi surface predictions, mostly correcting the discrepancies between measurements and calculations that were observed when LDA calculations were used. However, none of the tested exchange-correlation approximations succeeds in simultaneously bringing all of the measurable properties of these metals into good experimental agreement, particularly where magnetism is concerned. The SCAN calculations predict antiferromagnetic moments for Cr that are 3 times larger than the experimental value (1.90 $μ_B$ compared to 0.62 $μ_B$).
Non-Fermi-Liquid Transport Phenomena and Superconductivity Driven by Orbital Fluctuations in Iron Pnictides: Analysis by Fluctuation-Exchange Approximation
The strongly enhanced magnetic excitations near the quantum critical point of Cr$_{1-x}$V$_x$ and why strong exchange enhancement need not imply heavy fermion behavior
非弹性中子散射揭示了近反铁磁金属Cr $_{0.95}$ V $_{0.05}$中能量高达0.4eV的强自旋涨落。磁响应很好地描述了一个修改的Millis-Monien-Pines函数。从低能量响应，我们推导出一个大的交换增强，超过一个数量级以上的低温电子热容$γT$的相应增强。对一些磁关联金属，证明了$γ$与波矢平均自旋弛豫速率的倒数$Γ_{\text{ave}}$之间的标度关系
Double-exchange ferromagnetism of fermionic atoms in a $p$-orbital hexagonal lattice
Hefei National Research Center for Physical Sciences at the Microscale and School of Physical Sciences, University of Science and Technology of China（合肥微尺度物质科学国家研究中心和中国科学技术大学物理科学学院）；Department of Physics and Astronomy, George Mason University（乔治梅森大学物理与天文系）；Department of Physics and Astronomy and IQ Initiative, University of Pittsburgh（匹兹堡大学物理与天文系及IQ倡议）
