The electronic structures and magnetic properties of strained monolayer MnPSe3 are investigated sys- tematically via first-principles calculations. It is found that the magnetic ground state of monolayer MnPSe3 can be...The electronic structures and magnetic properties of strained monolayer MnPSe3 are investigated sys- tematically via first-principles calculations. It is found that the magnetic ground state of monolayer MnPSe3 can be significantly affected by biaxial strain engineering, while the semiconducting char- acteristics are well-preserved. Owing to the sensitivity of the magnetic coupling towards structural deformation, a biaxial tensile strain of approximately 13% can lead to an antiferromagnetic （AFM）- ferromagnetic （FM） transition. The strain-dependent magnetic stability is mainly attributed to the competition of the direct AFM interaction and indirect FM superexchange interaction between the two nearest-neighbor Mn atoms. In addition, we find that FM MnPSe3 is an intrinsic half semiconductor with large spin exchange splitting in the conduction bands, which is crucial for the spin-polarized carrier injection and detection. The sensitive interdependence among the external stimuli, electronic structure, and magnetic coupling makes monolayer MnPSe3 a promising candidate for spintronics.展开更多
Manganese phosphorous selenium(MnPSe_(3)),as a representative of layered metal phosphorus trichalcogenides(MPTs),has gained significant attention due to its direct bandgap,high carrier mobility,large absorption coeffi...Manganese phosphorous selenium(MnPSe_(3)),as a representative of layered metal phosphorus trichalcogenides(MPTs),has gained significant attention due to its direct bandgap,high carrier mobility,large absorption coefficient,which indicate great potential in photoelectric application.Herein,high-quality two-dimensional(2D)MnPSe_(3) flakes were mechanically exfoliated from the corresponding bulk crystals synthesized by chemical vapor transport(CVT)methods.The systematic investigation was applied to the lattice vibrations of MnPSe_(3) via angle-resolved polarized Raman spectroscopy(ARPRS),and the Raman vibration modes were determined based on Raman selection rules and crystal symmetry.Impressively,the photodetectors based on 2D MnPSe_(3) flakes exhibit excellent photoresponse to the ultraviolet light with a responsivity up to 22.7 A W^(-1) and a detectivity of 2.4×10^(11) Jones.The high performance in the ultraviolet range signifies that 2D MnPSe_(3) is expected to be a powerful candidate for future ultraviolet photodetection.展开更多
基金This work was supported by the National Natural Science Foundation of China （Grant Nos. 51671142, U1632152, and 51661145026） and the Key Project of Natural Sci- ence Foundation of Tianjin City （Grant No. 16JCZDJC37300）.
文摘The electronic structures and magnetic properties of strained monolayer MnPSe3 are investigated sys- tematically via first-principles calculations. It is found that the magnetic ground state of monolayer MnPSe3 can be significantly affected by biaxial strain engineering, while the semiconducting char- acteristics are well-preserved. Owing to the sensitivity of the magnetic coupling towards structural deformation, a biaxial tensile strain of approximately 13% can lead to an antiferromagnetic （AFM）- ferromagnetic （FM） transition. The strain-dependent magnetic stability is mainly attributed to the competition of the direct AFM interaction and indirect FM superexchange interaction between the two nearest-neighbor Mn atoms. In addition, we find that FM MnPSe3 is an intrinsic half semiconductor with large spin exchange splitting in the conduction bands, which is crucial for the spin-polarized carrier injection and detection. The sensitive interdependence among the external stimuli, electronic structure, and magnetic coupling makes monolayer MnPSe3 a promising candidate for spintronics.
基金supported by the National Natural Science Foundation of China(21825103)Hubei Provincial Natural Science Foundation(2019CFA002)+1 种基金the Fundamental Research Funds for the Central Universities(2019kfyXMBZ018)the support from the Analytical and Testing Center of Huazhong University of Science and Technology。
文摘Manganese phosphorous selenium(MnPSe_(3)),as a representative of layered metal phosphorus trichalcogenides(MPTs),has gained significant attention due to its direct bandgap,high carrier mobility,large absorption coefficient,which indicate great potential in photoelectric application.Herein,high-quality two-dimensional(2D)MnPSe_(3) flakes were mechanically exfoliated from the corresponding bulk crystals synthesized by chemical vapor transport(CVT)methods.The systematic investigation was applied to the lattice vibrations of MnPSe_(3) via angle-resolved polarized Raman spectroscopy(ARPRS),and the Raman vibration modes were determined based on Raman selection rules and crystal symmetry.Impressively,the photodetectors based on 2D MnPSe_(3) flakes exhibit excellent photoresponse to the ultraviolet light with a responsivity up to 22.7 A W^(-1) and a detectivity of 2.4×10^(11) Jones.The high performance in the ultraviolet range signifies that 2D MnPSe_(3) is expected to be a powerful candidate for future ultraviolet photodetection.
