Ab Initio Study of the Influence of Spin and Orbital Magnetic Moments on the Stability of Magnetic and Charge Distribution in Co:ZnO Monolayer.

IF 4.8 2区 化学 Q2 CHEMISTRY, PHYSICAL
Anastasiia V Prokhorenko, Andrey N Chibisov, Anton A Gnidenko, Mary A Chibisova, Kirill V Obrazcov, Andrey S Vasenko, Anurag Srivastava
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引用次数: 0

Abstract

The development of ultrathin magnets with tunable magnetic properties is essential for advancing quantum computing technologies. In this study, density functional theory (DFT) calculations were employed to investigate the atomic and electronic structures of a ZnO monolayer embedded with cobalt atoms. The impact of spin dynamics on charge transfer within the Co:ZnO system was thoroughly examined. Results revealed that the orbital magnetic moment of the cobalt atoms plays a crucial role in stabilizing the magnetic and charge distributions across the system. These findings offer valuable insights for the design and fabrication of quantum devices, thereby highlighting the potential of Co-doped ZnO monolayers in quantum computing applications.

Abstract Image

自旋和轨道磁矩对 Co:ZnO 单层磁性和电荷分布稳定性影响的 Ab Initio 研究。
开发具有可调磁性能的超薄磁体对于推动量子计算技术的发展至关重要。本研究采用密度泛函理论(DFT)计算来研究嵌入钴原子的氧化锌单层的原子和电子结构。研究深入考察了自旋动力学对 Co:ZnO 系统内电荷转移的影响。结果表明,钴原子的轨道磁矩在稳定整个系统的磁性和电荷分布方面起着至关重要的作用。这些发现为量子设备的设计和制造提供了宝贵的见解,从而凸显了掺钴氧化锌单层在量子计算应用中的潜力。
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来源期刊
The Journal of Physical Chemistry Letters
The Journal of Physical Chemistry Letters CHEMISTRY, PHYSICAL-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
9.60
自引率
7.00%
发文量
1519
审稿时长
1.6 months
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.
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