Cooperative evolution of intraband and interband excitations for high-harmonic generation in strained MoS2

Modulating electronic structure of two-dimensional (2D) materials represents an exciting avenue for tailoring their optoelectronic properties. Here, we identify a strain-induced, cooperative effect of intraband and interband excitations contributing to high harmonic generation (HHG) in prototype dichalcogenide MoS2 monolayer. We find that besides the dominant intraband contributions, interband current is also indispensable in modulating HHG. The HHG yields increase linearly with the compressive strain since flatter band dispersion and Berry curvature enhance both interband and intraband dynamics. Band structure can be retrieved with high reliability by monitoring the strain-induced evolution of HHG spectra, suggesting that strain not only provides an additional knob to control HHG in solids, but also marks a way towards a complete understanding of underlying microscopic mechanisms.

[1]  T. Hammond,et al.  A gauge-invariant formulation of interband and intraband currents in solids , 2018, Physical Review B.

[2]  Mengxue Guan,et al.  Photoexcitation in Solids: First‐Principles Quantum Simulations by Real‐Time TDDFT , 2018, Advanced Theory and Simulations.

[3]  C. Lin,et al.  Role of the Transition Dipole Amplitude and Phase on the Generation of Odd and Even High-Order Harmonics in Crystals. , 2018, Physical review letters.

[4]  K. Ishikawa,et al.  Polarization-Resolved Study of High Harmonics from Bulk Semiconductors. , 2018, Physical review letters.

[5]  Taisuke Boku,et al.  SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience , 2018, Comput. Phys. Commun..

[6]  Angel Rubio,et al.  Atomic-like high-harmonic generation from two-dimensional materials , 2018, Science Advances.

[7]  C. Blaga,et al.  The roles of photo-carrier doping and driving wavelength in high harmonic generation from a semiconductor , 2017, Nature Communications.

[8]  Zhongfan Liu,et al.  Monitoring Local Strain Vector in Atomic-Layered MoSe2 by Second-Harmonic Generation. , 2017, Nano letters.

[9]  Kazuhiro Yabana,et al.  Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set , 2017, Comput. Phys. Commun..

[10]  Claus Ropers,et al.  Tailored semiconductors for high-harmonic optoelectronics , 2017, Science.

[11]  P. Földi.  Gauge invariance and interpretation of interband and intraband processes in high-order harmonic generation from bulk solids , 2017 .

[12]  F. Kärtner,et al.  Ellipticity dependence of high-harmonic generation in solids originating from coupled intraband and interband dynamics , 2017, Nature Communications.

[13]  Shunsuke A. Sato,et al.  Ab initio multiscale simulation of high-order harmonic generation in solids , 2017, 1705.10707.

[14]  A. A. Lanin,et al.  Nonlinear spectroscopy with few-cycle pulses in mid-infrared: Mapping the electron band structure by intraband high-harmonic generation in solids , 2017, 2017 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC).

[15]  Koichiro Tanaka,et al.  High-harmonic generation in graphene enhanced by elliptically polarized light excitation , 2017, Science.

[16]  Behnood G. Ghamsari,et al.  Plasmon-enhanced high-harmonic generation from silicon , 2017, Nature Physics.

[17]  T. Ogawa,et al.  Higher-order harmonic generation caused by elliptically polarized electric fields in solid-state materials , 2016, 1612.08530.

[18]  David A. Reis,et al.  Anisotropic high-harmonic generation in bulk crystals , 2016, Nature Physics.

[19]  E. Goulielmakis,et al.  Multi-petahertz electronic metrology , 2016, Nature.

[20]  Young-Jin Kim,et al.  High-harmonic generation by field enhanced femtosecond pulses in metal-sapphire nanostructure , 2016, Nature Communications.

[21]  A. Marini,et al.  Plasmon-assisted high-harmonic generation in graphene , 2016, Nature Communications.

[22]  F. Kärtner,et al.  Impact of the Electronic Band Structure in High-Harmonic Generation Spectra of Solids. , 2016, Physical review letters.

[23]  Kenneth J. Schafer,et al.  Solid-state harmonics beyond the atomic limit , 2016, Nature.

[24]  Tony F. Heinz,et al.  High-harmonic generation from an atomically thin semiconductor , 2016, Nature Physics.

[25]  Yi Gao,et al.  Recent progresses in real-time local-basis implementation of time dependent density functional theory for electron–nucleus dynamics , 2016 .

[26]  Koichiro Tanaka,et al.  Diabatic Mechanisms of Higher-Order Harmonic Generation in Solid-State Materials under High-Intensity Electric Fields. , 2016, Physical review letters.

[27]  A. Castellanos-Gómez,et al.  Precise and reversible band gap tuning in single-layer MoSe2 by uniaxial strain. , 2015, Nanoscale.

[28]  P. Corkum,et al.  All-Optical Reconstruction of Crystal Band Structure. , 2015, Physical review letters.

[29]  S. Koch,et al.  Real-time observation of interfering crystal electrons in high-harmonic generation , 2015, Nature.

[30]  E. Goulielmakis,et al.  Extreme ultraviolet high-harmonic spectroscopy of solids , 2015, Nature.

[31]  Madan Dubey,et al.  Strain and structure heterogeneity in MoS2 atomic layers grown by chemical vapour deposition , 2014, Nature Communications.

[32]  P. Corkum,et al.  Theoretical analysis of high-harmonic generation in solids. , 2014, Physical review letters.

[33]  C. Battaglia,et al.  Strain-induced indirect to direct bandgap transition in multilayer WSe2. , 2014, Nano letters.

[34]  Peter Hommelhoff,et al.  Strong-field perspective on high-harmonic radiation from bulk solids. , 2014, Physical review letters.

[35]  T. O’Regan,et al.  Theoretical study on strain-induced variations in electronic properties of monolayer MoS2 , 2014, Journal of Materials Science.

[36]  J. Shan,et al.  Tightly bound excitons in monolayer WSe(2). , 2014, Physical review letters.

[37]  Wang Yao,et al.  Spin and pseudospins in layered transition metal dichalcogenides , 2014, Nature Physics.

[38]  A. Balocchi,et al.  Giant enhancement of the optical second-harmonic emission of WSe(2) monolayers by laser excitation at exciton resonances. , 2014, Physical review letters.

[39]  P. L. McEuen,et al.  The valley Hall effect in MoS2 transistors , 2014, Science.

[40]  Ferenc Krausz,et al.  Attosecond metrology: from electron capture to future signal processing , 2014, Nature Photonics.

[41]  S. Koch,et al.  Sub-cycle control of terahertz high-harmonic generation by dynamical Bloch oscillations , 2014, Nature Photonics.

[42]  S. Lau,et al.  Exceptional tunability of band energy in a compressively strained trilayer MoS2 sheet. , 2013, ACS nano.

[43]  Francisco Guinea,et al.  Local strain engineering in atomically thin MoS2. , 2013, Nano letters.

[44]  J. Shan,et al.  Experimental demonstration of continuous electronic structure tuning via strain in atomically thin MoS2. , 2013, Nano letters.

[45]  Jed I. Ziegler,et al.  Bandgap engineering of strained monolayer and bilayer MoS2. , 2013, Nano letters.

[46]  S. Borini,et al.  Strain-dependent modulation of conductivity in single-layer transition-metal dichalcogenides , 2013, 1301.3469.

[47]  Xiaofeng Qian,et al.  Strain-engineered artificial atom as a broad-spectrum solar energy funnel , 2012, Nature Photonics.

[48]  J. Shan,et al.  Tightly bound trions in monolayer MoS2. , 2012, Nature materials.

[49]  Soon Cheol Hong,et al.  Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H- M X 2 semiconductors ( M = Mo, W; X = S, Se, Te) , 2012 .

[50]  Oliver D. Mücke,et al.  Isolated high-order harmonics pulse from two-color-driven Bloch oscillations in bulk semiconductors , 2011 .

[51]  P. Agostini,et al.  Observation of high-order harmonic generation in a bulk crystal , 2011 .

[52]  A. Splendiani,et al.  Emerging photoluminescence in monolayer MoS2. , 2010, Nano letters.

[53]  Efthimios Kaxiras,et al.  Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations. , 2008, The Journal of chemical physics.

[54]  Stephan W Koch,et al.  High harmonics generated in semiconductor nanostructures by the coupled dynamics of optical inter-and intraband excitations , 2008 .

[55]  Fausto Rossi,et al.  Theory of ultrafast phenomena in photoexcited semiconductors , 2002 .

[56]  P. Corkum,et al.  Plasma perspective on strong field multiphoton ionization. , 1993, Physical review letters.

[57]  Schafer,et al.  High-order harmonic generation from atoms and ions in the high intensity regime. , 1992, Physical review letters.

[58]  J. Bigot,et al.  k-Space Carrier Dynamics in GaAs , 1992, Ultrafast Phenomena.

[59]  Henry,et al.  Femtosecond photon echoes from band-to-band transitions in GaAs. , 1988, Physical review letters.

[60]  T. Luu,et al.  Supplementary Information for Measurement of the Berry curvature of solids using high-harmonic spectroscopy , 2018 .

[61]  Geoffrey Pourtois,et al.  Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2 , 2011, Nano Research.