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Berry curvature flux around a Weyl node

Physics Asked on May 27, 2021

How can I formally show (or at least argue) that, given the crystal Hamiltonian expansion around a Weyl node in a three-dimensional Brillouin Zone located at $vec{k}_{0}$,

$hat{H}=f_{0}(vec{k}_{0})mathbb{I}+vec{v}_{0}cdotvec{q}mathbb{I}+sum_{a=x,y,z}vec{v}_{a}cdotvec{q}sigma^{a}$

with $vec{k}=vec{k}_{0}+vec{q}$, the Berry flux through a sphere surrounding $vec{k}_{0}$ corresponds to the one of a sink or source of Berry curvature, depending on the chirality of the Weyl node, defined as $chi=vec{v}_{x}cdot(vec{v}_ytimesvec{v}_z)$?

2 Answers

At Weyl points ($K$, $q = 0$), we can approximate a tight-binding Hamiltonian as begin{equation} H(vec{K}+vec{q})= v vec{q} cdot vec{sigma}. end{equation} As this is a general $2x2$ Hamiltonian, we know that the eigenvalues will be of the form $ v|q|$. end{definition} The corresponding eigenvectors are given as begin{equation} |- rangle = biggl(begin{array}{c} e^{-i varphi} sin theta /2 - cos theta /2 end{array}biggr), |+ rangle = biggl( begin{array}{c} e^{-i varphi} cos theta /2 sin theta /2 end{array}biggr) end{equation}

Note that these are not well-defined (single valued) at $theta = pi$. We can define a $U(1)$gauge transformation so that the eigenvectors are begin{equation} |- rangle = biggl(begin{array}{c} sin theta /2 - e^{i varphi}cos theta /2 end{array}biggr), |+ rangle = biggl( begin{array}{c} cos theta /2 e^{i varphi}sin theta /2 end{array}biggr) end{equation} Now these are single valued except at the north-pole $theta = 0$. We can compute the Berry curvature in both gauges begin{gather} A_theta = i langle - | partial_theta | - rangle = 0 A_phi = i langle - | partial_phi | - rangle = (sin theta /2)^2 end{gather} and begin{gather} A_theta = i langle - | partial_theta | - rangle = 0 A_phi = i langle - | partial_phi | - rangle = - (cos theta /2)^2 end{gather}

From here you can see that this is no longer single valued at $theta = 0$. This requires that we define a new gauge so that begin{gather} A_theta = i langle - | partial_theta | - rangle = 0 A_phi = i langle - | partial_phi | - rangle = - (cos theta /2)^2 end{gather} However, both of these give the gauge independent begin{equation} F_{ theta phi} = partial_theta A_phi - partial_phi A_theta = frac{sin(theta)}{2} end{equation} Since we just have $qcdot sigma$, our angles are just spherical coordinate parameterization. Now we can write the Berry curvature in terms of the inverse Jacobian begin{equation} F_{q_i,q_j} = F_{theta, phi} frac{partial(theta ,phi)}{partial(q_i,q_j)} = frac{sin}{2}frac{partial(theta, phi)}{partial(q_i,q_j)} = frac{1}{2|q|^2} end{equation} Now the field strength pseudovector is given by begin{equation} mathcal{F}_i = epsilon_{ijk}F_{jk} end{equation} and so we have begin{equation} mathcal{F} = frac{-vec{q}}{2 |q|^3} end{equation} From here it is clear that we can use Gauss's theorem begin{equation} int_{text {sphere }} mathcal{F}(q) cdot d mathbf{S}= 2 pi int d theta d phi sin (theta) =- 2 pi (1) end{equation} which gives a quantized Berry curvature given by the Chern number $C = frac{1}{2 pi} gamma$

Correct answer by Andrew Hardy on May 27, 2021

To simplify the maths, let us set the zero of energy at the crossing point and make the velocity isotropic (essentially re-scale your definition of $mathbf{q}$), so that the Hamiltonian around the Weyl point becomes: $$ hat{H}(mathbf{q})=v_{mathrm{F}}mathbf{q}cdotmathbf{sigma}=v_{mathrm{F}}(q_1sigma_1+q_2sigma_2+q_3sigma_3), $$ for $mathbf{q}=(q_1,q_2,q_3)$. The $i$th component of the Berry curvature is: $$ Omega_i(mathbf{q})=-frac{1}{8pi}frac{1}{|mathbf{q}|^3}varepsilon_{ijk}mathbf{q}cdotpartial_{q_j}mathbf{q}timespartial_{q_k}mathbf{q}. $$ If you carry out the calculation for all three components, and combine them into a vector $Omega=(Omega_1,Omega_2,Omega_3)$, you get: $$ Omega(mathbf{q})=-frac{1}{4pi}frac{mathbf{q}}{|mathbf{q}|^3}. $$ The flux over a sphere S of fixed radius $|mathbf{q}|$ is $Omega(mathbf{q})cdot dmathbf{S}=Omega(mathbf{q})cdothat{mathbf{q}}dS$. The surface element is $dS=q^2sin(theta)dtheta dphi$ (where I use $(q,theta,phi)$ as my spherical coordinates for $mathbf{q})$, so that $Omega(mathbf{q})cdot dmathbf{S}=-frac{1}{4pi}sin(theta)dtheta dphi$, and the integral now becomes very simple: $$ int_{mathrm{sphere}}Omega(mathbf{q})cdot dmathbf{S}=-frac{1}{4pi}intsin(theta)dthetaint dphi=-1, $$ and this corresponds to a left-handed Weyl point. If you repeat the same analysis for the Hamiltonian $hat{H}(mathbf{q})=-v_{mathrm{F}}mathbf{q}cdotsigma$, then you get the Berry curvature as: $$ Omega(mathbf{q})=+frac{1}{4pi}frac{mathbf{q}}{|mathbf{q}|^3}, $$ and the integral over the flux gives you $+1$, corresponding to a right-handed Weyl point.

Answered by ProfM on May 27, 2021

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