Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi

作     者：Nicolas Tancogne-Dejean Florian G.Eich Angel Rubio 

作者机构：Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser ScienceLuruper Chaussee 14922761HamburgGermany European Theoretical Spectroscopy Facility(ETSF)Donostia-San SebastianSpain HQS Quantum Simulations GmbHHaid-und-Neu-Straße 7D-76131KarlsruheGermany Nano-Bio Spectroscopy GroupUniversidad del País Vasco20018San SebastiánSpain Center for Computational Quantum Physics(CCQ)The Flatiron Institute162 Fifth AvenueNew YorkNY10010USA 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2022年第8卷第1期

页      面：1379-1387页

核心收录：

学科分类：080901[工学-物理电子学] 0809[工学-电子科学与技术（可授工学、理学学位）] 08[工学] 

基　　金：This work was supported by the European Research Council(ERC-2015-AdG694097) the Cluster of Excellence‘Advanced Imaging of Matter’(AIM),Grupos Consolidados(IT1249-19)and SFB925 

主　　题：coupling harmonic harmonics 

摘      要：In this work,we performed extensive first-principles simulations of high-harmonic generation in the topological Diract semimetal Na_(3)Bi using a first-principles time-dependent density functional theory framework,focusing on the effect of spin-orbit coupling(SOC)on the harmonic *** also derived an analytical model describing the microscopic mechanism of strong-field dynamics in presence of spin-orbit coupling,starting from a locally U(1)×SU(2)gauge-invariant *** results reveal that SOC:(i)affects the strong-field excitation of carriers to the conduction bands by modifying the bandstructure of Na_(3)Bi,(ii)makes each spin channel reacts differently to the driven laser by modifying the electron velocity(iii)changes the emission timing of the emitted ***,we show that the SOC affects the harmonic emission by directly coupling the charge current to the spin currents,paving the way to the high-harmonic spectroscopy of spin currents in solids.