Controlling the spin and valley degeneracy splitting in monolayer MnPSe3 by atom doping

Literature Information

Publication Date 2017-05-15
DOI 10.1039/C7CP00964J
Impact Factor 3.676
Authors

Liangshuai Zhong, Xiaofang Chen, Jingshan Qi


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Abstract

Monolayer manganese chalcogenophosphates MnPSe3 possess a pair of non-degenerate energy valleys in the vicinities of the vertices of the hexagonal Brillouin zone, which exhibit fascinating optical valley polarization. However, the spin is still degenerate due to antiferromagnetic coupling between Mn ions. In this paper we propose a strategy to realize simultaneously the spin and valley degeneracy splitting by the doping-induced Zeeman effect in monolayer MnPSe3. Using first-principles calculations we demonstrate that in Zn-doped monolayer MnPSe3 a valley splitting of larger than 20 meV and a spin splitting of larger than 100 meV can be achieved simultaneously. The doping-induced spin and valley splitting is attractive for spintronics and valleytronics as it creates differences in various energy scales between valleys and between spins, which will facilitate the access and manipulation of the valley and spin degrees of freedom by electrical gating in addition to optical pumping.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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