Spin-phonon decoherence in solid-state paramagnetic defects from first principles  

作　　者：Sourav Mondal Alessandro Lunghi 

机构地区：[1]School of Physics,AMBER and CRANN Institute,Trinity College,Dublin 2,Ireland

出　　处：《npj Computational Materials》2023年第1期1129-1136,共8页计算材料学（英文）

基　　金：This project has received funding from the European Research Council(ERC)under the European Union’s Horizon 2020 research and innovation programme(grant agreement No.[948493]);Computational resources were provided by the Trinity College Research IT and the Irish Centre for High-End Computing(ICHEC).

摘　　要：Paramagnetic defects in diamond and hexagonal boron nitride possess a combination of spin and optical properties that make them prototypical solid-state qubits.Despite the coherence of these spin qubits being critically limited by spin-phonon relaxation,a full understanding of this process is not yet available.Here we apply ab initio spin dynamics simulations to this problem and quantitatively reproduce the experimental temperature dependence of spin relaxation time and spin coherence time.We demonstrate that low-frequency two-phonon modulations of the zero-field splitting are responsible for spin relaxation and decoherence,and point to the nature of vibrations in 2-dimensional materials as the culprit for their shorter coherence time.These results provide an interpretation to spin-phonon decoherence in solid-state paramagnetic defects,offer a strategy to correctly interpret experimental results,and pave the way for the accelerated design of spin qubits.

关 键 词：PHONON RELAXATION state 

分 类 号：O4[理学—物理]