光谱学
国家(计算机科学)
高压
谐波
电子能带结构
材料科学
原子物理学
电子结构
物理
光电子学
分子物理学
凝聚态物理
量子力学
工程物理
计算机科学
算法
作者
Shang Hsiu Hu,Daqiang Chen,Le Du,Sheng Meng
标识
DOI:10.1073/pnas.2316775121
摘要
High pressure has triggered various novel states/properties in condensed matter, as the most representative and dramatic example being near-room-temperature superconductivity in highly pressured hydrides (~200 GPa). However, the mechanism of superconductivity is not confirmed, due to the lacking of effective approach to probe the electronic band structure under such high pressures. Here, we theoretically propose that the band structure and electron-phonon coupling (EPC) of high-pressure quantum states can be probed by solid-state high harmonic generation (sHHG). This strategy is investigated in high-pressure Im-3m H 3 S by the state-of-the-art first-principles time-dependent density-functional theory simulations, where the sHHG is revealed to be strongly dependent on the electronic structures and EPC. The dispersion of multiple bands near the Fermi level is effectively retrieved along different momentum directions. Our study provides unique insights into the potential all-optical route for band structure and EPC probing of high-pressure quantum states, which is expected to be helpful for the experimental exploration of high-pressure superconductivity in the future.
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