Magic of High-Order Van Hove Singularity
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Magic of high-order van Hove singularity The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. Citation Yuan, Noah F. Q. et al. "Magic of high-order van Hove singularity." Nature Communications 10, 1 (December 2019): 5769 © 2019 The Author(s) As Published http://dx.doi.org/10.1038/s41467-019-13670-9 Publisher Springer Science and Business Media Version Final published version Citable link https://hdl.handle.net/1721.1/126294 Terms of Use Creative Commons Attribution 4.0 International license Detailed Terms https://creativecommons.org/licenses/by/4.0/ ARTICLE https://doi.org/10.1038/s41467-019-13670-9 OPEN Magic of high-order van Hove singularity Noah F.Q. Yuan 1, Hiroki Isobe1 & Liang Fu1* The van Hove singularity in density of states generally exists in periodic systems due to the presence of saddle points of energy dispersion in momentum space. We introduce a new type of van Hove singularity in two dimensions, resulting from high-order saddle points and exhibiting power-law divergent density of states. We show that high-order van Hove sin- gularity can be generally achieved by tuning the band structure with a single parameter in moiré superlattices, such as twisted bilayer graphene by tuning twist angle or applying pressure, and trilayer graphene by applying vertical electric field. Correlation effects from high-order van Hove singularity near Fermi level are also discussed. 1 Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. *email: [email protected] NATURE COMMUNICATIONS | (2019) 10:5769 | https://doi.org/10.1038/s41467-019-13670-9 | www.nature.com/naturecommunications 1 ARTICLE NATURE COMMUNICATIONS | https://doi.org/10.1038/s41467-019-13670-9 he recent discovery of unconventional insulating states and shifts to the Fermi level under gating (the corresponding density superconductivity in twisted bilayer graphene (TBG)1,2 has is within 10% of half filling), the VHS peak in tunneling density of T 45 fi attracted enormous interest. At ambient pressure, these states splits into two new peaks (see also ref. ). These ndings intriguing phenomena of correlated electrons only occur near a clearly demonstrate the prominent role of VHS in magic-angle specific twist angle θ 1:1, widely referred to as the magic TBG. However, it is also known from general consideration and angle. The existence of such a magic angle was first predicted previous STS measurements46–48 that VHS are present at all twist from band structure calculations. Based on a continuum model3,4, angles. It is therefore unclear whether VHS at magic angle is Bistritzer and MacDonald showed5 that the lowest moiré bands in anything special. TBG become exceptionally flat at this magic angle, and are hence In this work, we propose a new perspective that relates magic expected to exhibit strong electron correlation. This pioneering angle to a new type of VHS in the single-particle energy spectrum work inspired a large body of experimental works in recent years, of TBG. We show that as the twist angle decreases below a critical 1,2 θ — which culminated in the discovery reported in refs. The origin value c, the van Hove saddle point which marks the change of of magic-angle phenomena, i.e., the emergence of super- topology in Fermi surface (Lifshitz transition)—undergoes a conductivity and correlated insulator, is now under intensive topological transition whereby a single saddle point splits into 6–25 θ study . two new ones. Right at c, the saddle point changes from second- While the reduction of bandwidth is undoubtedly important, it order to higher-order; the DOS at VHS is significantly enhanced is evident that the phenomenology of magic-angle TBG cannot be from logarithmic to power-law divergence, which promises ascribed to a completely flat band. Quantum oscillation at low stronger electron correlation. We propose that proximity to such magnetic fields reveals doping-dependent Fermi surfaces within “high-order van Hove singularity”, which requires tuning to the the narrow moiré band. Detailed scanning tunneling spectroscopy critical twist angle or pressure, is an important factor responsible (STS) studies26–28 and compressibility measurements29 show that for correlated electron phenomena in TBG near half filling. the moiré bandwidth at a magic angle is a few tens of meV, larger We demonstrate by topological argument that high-order VHS than what previous calculations found5,30–35. Moreover, there is can be generally achieved by tuning the band structure with just a no direct evidence from existing STS measurements at various single control parameter. For TBG, besides twist angle, pressure fl can also induce superconductivity at a twist angle larger than twist angles that the moiré band is exceptionally at right at the magic angle (see also ref. 28). These experimental results moti- 1:1 49. By tracking the evolution of the moiré band with twist vated us to consider additional feature of electronic structure angle and pressure, we locate the high-order VHS in experi- which may create favorable condition for correlated electron mentally relevant parameter regime and predict its key feature, a phenomena in magic-angle TBG. distinctive asymmetric peak in DOS. This feature compares well One such feature is the van Hove singularity (VHS) in moiré with the experimentally observed VHS peak in magic-angle TBG, bands. The importance of VHS has already been recognized in as shown in Fig. 1. We also discuss the splitting of VHS peak by our theory of correlated TBG36,37 and related studies38–44 using nematic or density wave order. the weak coupling approach. Generally speaking, VHS with divergent density of states (DOS) in two-dimensional systems are Results associated with saddle points of energy dispersion in k space. Ordinary and high-order VHS. In two-dimensional (2D) elec- When a VHS is close to Fermi energy, the increased DOS tron systems with energy dispersion EðkÞ, an ordinary VHS with fi ampli es electron correlation, resulting in various ordering logarithmically diverging DOS occurs at a saddle point ks, instabilities, such as density wave and superconductivity at low determined by temperature36. Indeed, the two recent STS measurements on gate- 26,27 fi tunable TBG around magic angle nd that when the VHS ∇ ¼ ; ð Þ kE 0 and det D<0 1 a 50 b 45 95 40 90 35 85 30 80 × (nS) 25 c G (nS) 75 20 G+G 15 70 10 = 1.32≈√2 65 5 0 –60 –40 –20 0 20 40 60 1 2 4 6 8 10 E (meV) |E–Ev | (meV) Fig. 1 Theoretical fit to the tunneling conductance measurement26.aOpen circles are tunneling conductance G of twisted bilayer graphene at twist angle 1:10, and solid lines are fitting according to Eq. (5) with details given in the Supplementary Material Sec. I. Dashed lines denote singularity energies, ¼ : indicating the asymmetry of conductance peaks. b The peak at Ev 16 72 meVp plottedffiffiffi in logarithmic scales. Electron and hole sides of the peak fall into À = η ¼ : ¼ : two parallel lines with the same slope 1 4 and asymmetry ratio 1 32 2. The only parameter in b is the background offset Gc 57 6 nS. 2 NATURE COMMUNICATIONS | (2019) 10:5769 | https://doi.org/10.1038/s41467-019-13670-9 | www.nature.com/naturecommunications NATURE COMMUNICATIONS | https://doi.org/10.1038/s41467-019-13670-9 ARTICLE where D 1 ∂ ∂ E is the 2 ´ 2 Hessian matrix of E at k . Since D these VHS points in the vicinity of this transition is solely ij 2 i j s Λ is symmetric by definition, we can rotate the axes to diagonalize D governed by the local energy dispersion near 0. We now expand EðkÞ near Λ to higher orders: and Taylor expand the energy dispersion near ks as 0 E À E ¼Àαp2 þ βp2, where E is the VHS energy, the À ¼Àα 2 þ β 2 þ γ 2 þ κ 4 þ ¼ ; ð Þ v x y v E Ev p p p p p 3 ¼ À x y x y y momentum p k ks is measured from the saddle point, and Γ the coefficients Àα, β are the two eigenvalues of D with where px (py) is parallel (perpendicular) to M line. In the fi Λ Àαβ ¼ det D<0. This dispersion describes two pieces of Fermi expansion (3), rst-order terms vanish because 0 has by definition zero Fermi velocity. Moreover, only even power terms contours that intersect at the saddle point ks. It is known from a topological consideration that due to the periodicity of EðkÞ on of py are allowed because of the two-fold rotation symmetry of ð ; Þ the Brillouin zone (a torus), van Hove saddle points appear quite TBG, which acts within each valley and maps px py to generally in energy bands of two-dimensional materials50. ð ; À Þ γ κ px py . The third-order term and fourth-order term are We now introduce the concept of high-order VHS associated fi essential to describe the splitting of VHS across the transition, with a high-order saddle point de ned by the following condition: which we shall show below along with the relation to scaling properties. ∇ ¼ ¼ ; ð Þ kE 0 and det D 0 2 The behavior of VHS and Fermi contour of the energy dispersion (3) depends crucially on the sign of β. For β > 0, p ¼ 0 which imply αβ ¼ 0. There exist two types of high-order VHS. (i.e., Λ ) is an ordinary van Hove saddle point with logarithmic fi α ¼ β ¼ ¼ 0 The rst type corresponds to 0, i.e., D 0.