التفاصيل البيبلوغرافية
| العنوان: |
Effects of dopant separation on electronic states and magnetism in monolayer MoS2. |
| المؤلفون: |
Miao, Yaping1,2, Li, Yan2, Fang, Qinglong2, Huang, Yuhong3, Sun, Yunjin4, Xu, Kewei2,5, Ma, Fei1,2 mafei@mail.xjtu.edu.cn, Chu, Paul K.1 paul.chu@cityu.edu.hk |
| المصدر: |
Applied Surface Science. Jan2018, Vol. 428, p226-232. 7p. |
| مصطلحات موضوعية: |
*FERROMAGNETIC materials synthesis, *ANTIFERROMAGNETIC materials, *PHONON dispersion relations, *FERMI level, *VANADIUM compounds |
| مستخلص: |
The effects of vanadium (V) dopant on the electronic and magnetic properties of monolayer MoS 2 are investigated by first-principles calculation. The substitutionally doped V produces antiferromagnetic (AFM) or ferromagnetic (FM) states depending on the separation between V dopants. When the separation between V dopants is smaller than 6.38 Å and the maximum dopant concentration is 25%, the superexchange interaction between V atoms is stronger than the double exchange interaction between the localized V 3 d orbitals and Mo 4 d orbitals, resulting in the AFM state in monolayer MoS 2 . However, the double exchange interaction between the V and Mo atoms becomes stronger than the superexchange interaction between V atoms if the separation between V dopants is larger than 9.57 Å when the maximum dopant concentration is 11.11%. Consequently, the FM state is observed from the monolayer MoS 2 and 100% spin polarization takes place if the separation between V atoms is further increased to 12.76 Å at a dopant concentration of 6.25%. The results suggest potential applications of monolayer MoS 2 as diluted magnetic semiconductors (DMS) in spintronics. [ABSTRACT FROM AUTHOR] |
| قاعدة البيانات: |
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