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High-Throughput Computational Screening for Bipolar Magnetic Semiconductors

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摘要 Searching ferromagnetic semiconductor materials with electrically controllable spin polarization is a long-term challenge for spintronics.Bipolar magnetic semiconductors(BMS),with valence and conduction band edges fully spin polarized in different spin directions,show great promise in this aspect because the carrier spin polarization direction can be easily tuned by voltage gate.Here,we propose a standard high-throughput computational screening scheme for searching BMS materials.The application of this scheme to the Materials Project database gives 11 intrinsic BMS materials(I experimental and 10 theoretical)from nearly-40000 structures.Among them,a room-temperature BMS Li,V,TeO(mp-771246)is discovered with a Curie temperature of 478 K.Moreover,the BMS feature can be maintained well when cutting the bulk Li,V,TeOg into(001)nanofilms for realistic applications.This work provides a feasible solution for discovering novel intrinsic BMS materials from various crystal structure databases,paving the way for realizing electric-field controlled spintronics devices.
出处 《Research》 EI CAS CSCD 2022年第2期391-398,共8页 研究(英文)
基金 supported by the Fundamental Research Funds for the Central Universities,by,the National Natural Science Foundation of China(Grant No.21688102) by the National Key Research&Development Program of China(Grant No.2016YFA0200604) by Anhui Initiative in Quantum Information Technologies(Grant No.AHY090400) by the Youth Innovation Promotion Association CAS(2019441) and by University of Science and Technology of China Research Funds of the Double First-Class Initiative(YD2060002011).
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