Role of Velocity Field and Principal Axis of Tilted Dirac Cones in Effective Hamlitonan of Non-Coplanar Nodal Loop

Abstract

Nodal line in single-component molecular conductor [Pd(dddt)_2] has been examined to understand the tilted Dirac cone on the non-coplanar loop. In the previous work [J. Phys. Soc. Jpn. 87, 113701 (2018)], the velocity of the cone was calculated at respective Dirac points on the nodal loop based on our first-principles band structure calculations, which was a new method to derive an effective Hamiltonian with a 2 x 2 matrix. However, the Dirac cones on the nodal line are fully reproduced only at symmetric points. In the present paper, we show that our improved method well reproduces reasonable behaviors of all the Dirac cones and a very small energy dispersion of 6~meV among the Dirac points. The variation of velocities along the nodal line are shown by using principal axes of the gap function between the conduction and valence bands. Further, the density of states close to the chemical potential and orbital magnetic susceptibility are calculated using such an effective Hamiltonian.

9pages, 9figures

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Cited by in corpus (5)

• Electronic Structure of a Single-Component Molecular Conductor [Pd(dddt)${}_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) under High Pressure
• Tight-Binding Model and Electronic Property of Dirac Nodal Line in Single-Component Molecular Conductor [Pt(dmdt)${}_2$]
• Characteristic singular behaviors of nodal line materials emerging in orbital magnetic susceptibility and Hall conductivity
• Possible Spin-Density Wave on Fermi Arc of Edge State in Single-Component Molecular Conductors [Pt(dmdt)${}_2$] and [Ni(dmdt)${}_2$]
• Fragment-orbital-dependent spin fluctuations in the single-component molecular conductor [Ni(dmdt)${}_2$]