Quasi-One-Dimensional Fermi Surface Nesting and Hidden Nesting Enable Multiple Kohn Anomalies in α-Uranium

被引:17
作者
Roy, Aditya Prasad [1 ]
Bajaj, Naini [1 ]
Mittal, Ranjan [2 ,4 ]
Babu, Peram D. [3 ]
Bansal, Dipanshu [1 ]
机构
[1] Indian Inst Technol, Dept Mech Engn, Mumbai 400076, Maharashtra, India
[2] Bhabha Atom Res Ctr, Solid State Phys Div, Mumbai 400085, Maharashtra, India
[3] Mumbai Ctr, UGC DAE Consortium Sci Res, Mumbai 400085, Maharashtra, India
[4] Homi Bhabha Natl Inst, Mumbai 400094, Maharashtra, India
关键词
CHARGE-DENSITY-WAVE; TOTAL-ENERGY CALCULATIONS; ELECTRICAL-RESISTIVITY; STATE; INSTABILITY; DYNAMICS; DOMAIN; OXIDE;
D O I
10.1103/PhysRevLett.126.096401
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The topology of the Fermi surface controls the electronic response of a metal, including charge density wave (CDW) formation. A topology conducive for Fermi surface nesting (FSN) allows the electronic susceptibility. 0 to diverge and induce a CDW at wave vector q(CDW). Kohn extended the implications of FSN to show that the imaginary part of the lattice dynamical susceptibility chi(L)'' also responds anomalously for all phonon branches at q(CDW)-a phenomenon referred to as the Kohn anomaly. However, materials exhibiting multiple Kohn anomalies remain rare. Using first-principles simulations of chi(0) and chi(L)'', and previous scattering measurements [Crummett et al., Phys. Rev. B 19, 6028 234 (1979)], we show that a-uranium harbors multiple Kohn anomalies enabled by the combined effect of FSN and "hidden" nesting, i.e., nesting of electronic states above and below the Fermi surface. FSN and hidden nesting lead to a ridgelike feature in the real part of chi(0), allowing interatomic forces to modulate strongly and multiple Kohn anomalies to emerge. These results emphasize the importance of hidden nesting in controlling chi(0) and chi(L)'' to exploit electronic and lattice states and enable engineering of advanced materials, including topological Weyl semimetals and superconductors.
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页数:7
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