Tunable magnetic phase transition in two-dimensional materials is a fascinating subject of research.We perform first-principle calculations based on density functional theory to clarify the magnetic property of CrSeTe...Tunable magnetic phase transition in two-dimensional materials is a fascinating subject of research.We perform first-principle calculations based on density functional theory to clarify the magnetic property of CrSeTe monolayer modulated by the biaxial compressive strain.Based on the stable structure confirmed by the phonon calculation,CrSeTe is determined to be a ferromagnetic metal that undergoes a phase transition from a ferromagnetic state to an antiferromagnetic state with nearly 2.75%compressive strain.We identify the stress-magnetism behavior originating from the changes in interactions between the nearest-neighboring Cr atoms(J_(1)) and the next-nearest-neighboring Cr atoms(J_(2)).Through Monte Carlo simulation,we find that the Curie temperature of the CrSeTe monolayer is 160 K.The CrSeTe monolayer could be an intriguing platform for the two-dimensional systems and potential spintronic material.展开更多
基金the National Natural Science Foundation of China(Grant Nos.61874060,U1932159,and 61911530220)the Natural Science Foundation of Jiangsu Province(Grant No.BK20181388)+3 种基金the Natural Science Research of Jiangsu Higher Education Institutions of China(Grant No.21KJD140005)the Foundation of Nanjing University of Posts and Telecommunications(NUPT)‘1311 Talent Program’supported by the Natural Science Foundation of Jiangsu Province(Grant No.20KJB430010)NUPTSF(Grant No.NY219164)。
文摘Tunable magnetic phase transition in two-dimensional materials is a fascinating subject of research.We perform first-principle calculations based on density functional theory to clarify the magnetic property of CrSeTe monolayer modulated by the biaxial compressive strain.Based on the stable structure confirmed by the phonon calculation,CrSeTe is determined to be a ferromagnetic metal that undergoes a phase transition from a ferromagnetic state to an antiferromagnetic state with nearly 2.75%compressive strain.We identify the stress-magnetism behavior originating from the changes in interactions between the nearest-neighboring Cr atoms(J_(1)) and the next-nearest-neighboring Cr atoms(J_(2)).Through Monte Carlo simulation,we find that the Curie temperature of the CrSeTe monolayer is 160 K.The CrSeTe monolayer could be an intriguing platform for the two-dimensional systems and potential spintronic material.
