Paolo Cleto Bruzzese, Yu-Kai Liao, Lorenzo Donà, Bartolomeo Civalleri, Enrico Salvadori, Mario Chiesa
{"title":"Spin-Lattice Relaxation and Spin-Phonon Coupling of <i>n</i>s<sup>1</sup> Metal Ions at the Surface.","authors":"Paolo Cleto Bruzzese, Yu-Kai Liao, Lorenzo Donà, Bartolomeo Civalleri, Enrico Salvadori, Mario Chiesa","doi":"10.1021/acs.jpclett.4c01634","DOIUrl":null,"url":null,"abstract":"<p><p>To use transition metal ions for spin-based applications, it is essential to understand fundamental contributions to electron spin relaxation in different ligand environments. For example, to serve as building blocks for a device, transition metal ion-based molecular qubits must be organized on surfaces and preserve long electron spin relaxation times, up to room temperature. Here we propose monovalent group 12 ions (Zn<sup>+</sup> and Cd<sup>+</sup>) as potential electronic metal qubits with an <i>n</i>s<sup>1</sup> ground state. The relaxation properties of Zn<sup>+</sup> and Cd<sup>+</sup>, stabilized at the interface of porous aluminosilicates, are investigated and benchmarked against vanadium (3d<sup>1</sup>) and copper (3d<sup>9</sup>) ions. The spin-phonon coupling has been evaluated through DFT modeling and found to be negligible for the <i>n</i>s<sup>1</sup> states, explaining the long coherence time, up to 2 μs, at room temperature. These so far unexplored metal qubits may represent viable candidates for room temperature quantum operations and sensing.</p>","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":4.8000,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry Letters","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpclett.4c01634","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
To use transition metal ions for spin-based applications, it is essential to understand fundamental contributions to electron spin relaxation in different ligand environments. For example, to serve as building blocks for a device, transition metal ion-based molecular qubits must be organized on surfaces and preserve long electron spin relaxation times, up to room temperature. Here we propose monovalent group 12 ions (Zn+ and Cd+) as potential electronic metal qubits with an ns1 ground state. The relaxation properties of Zn+ and Cd+, stabilized at the interface of porous aluminosilicates, are investigated and benchmarked against vanadium (3d1) and copper (3d9) ions. The spin-phonon coupling has been evaluated through DFT modeling and found to be negligible for the ns1 states, explaining the long coherence time, up to 2 μs, at room temperature. These so far unexplored metal qubits may represent viable candidates for room temperature quantum operations and sensing.
期刊介绍:
The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.