High-harmonic generation from spin-polarised defects in solids
作者机构：Department of PhysicsIndian Institute of Technology BombayPowaiMumbai 400076India Max Planck Institute for the Structure and Dynamics of MatterLuruper Chaussee 14922761 HamburgGermany Nano-Bio Spectroscopy Group and ETSFDepartamento de Fisica de MaterialesUniversidad del País Vasco UPV/EHU20018 San SebastiánSpain
出 版 物：《npj Computational Materials》 (计算材料学（英文）)
年 卷 期：2020年第6卷第1期
页 面：1583-1591页
核心收录：
学科分类：07[理学] 070203[理学-原子与分子物理] 0805[工学-材料科学与工程（可授工学、理学学位）] 0701[理学-数学] 0801[工学-力学（可授工学、理学学位）] 0702[理学-物理学] 0812[工学-计算机科学与技术（可授工学、理学学位）]
基 金：This work was supported by the European Research Council(ERC-2015-AdG694097) the Cluster of Excellence(AIM),Grupos Consolidados(IT1249-19) SFB925,the Flatiron Institute(a division of the Simons Foundation),and Ramanujan fellowship(SB/S2/RJN-152/2015)
摘 要：The generation of high-order harmonics in gases enabled to probe the attosecond electron dynamics in atoms and molecules with unprecedented *** these techniques to solids,which were originally developed for atomic and molecular gases,requires a fundamental understanding of the physics that has been partially addressed ***,we employ timedependent density-functional theory to investigate how the electron dynamics resulting in high-harmonic emission in monolayer hexagonal boron nitride is affected by the presence of *** show how these realistic spin-polarised defects modify the harmonic emission and demonstrate that important differences exist between harmonics from a pristine solid and a defected *** particular,we found that the different spin channels are affected differently by the presence of the spin-polarised point ***,the localisation of the wavefunction,the geometry of the defect,and the electron–electron interaction are all crucial ingredients to describe high-harmonic generation in defected solids.
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