Layered quantum materials can host interesting properties,including magnetic and topological,for which enormous computational predictions have been done.Their thermodynamic stability is much less visited computational...Layered quantum materials can host interesting properties,including magnetic and topological,for which enormous computational predictions have been done.Their thermodynamic stability is much less visited computationally,which however determines the existence of materials and can be used to guide experimental synthesis.MnBi_(2)Te_(4) is one of such layered quantum materials that was predicted to be an intrinsic antiferromagnetic topological insulator,and later experimentally realized but in a thermodynamically metastable state.展开更多
基金This work was supported by the U.S.Department of Energy,Office of Science,Basic Energy Sciences,under Awards DE-SC0019068 and DE-SC0014208The computational work was also supported by the Cypress High-Performance Computing system at Tulane University,and by the National Energy Research Scientific Computing Center.
文摘Layered quantum materials can host interesting properties,including magnetic and topological,for which enormous computational predictions have been done.Their thermodynamic stability is much less visited computationally,which however determines the existence of materials and can be used to guide experimental synthesis.MnBi_(2)Te_(4) is one of such layered quantum materials that was predicted to be an intrinsic antiferromagnetic topological insulator,and later experimentally realized but in a thermodynamically metastable state.
