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纤锌矿Zn_(1-x)Mg_xO极化特性的第一性原理GGA+U方法研究 被引量:1
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作者 吴孔平 王智 +4 位作者 陈昌兆 汤琨 叶建东 朱顺明 顾书林 《发光学报》 EI CAS CSCD 北大核心 2015年第5期497-501,共5页
高迁移率的二维电子气在纤锌矿结构Zn1-xMgxO/Zn O异质结构中被发现,二维电子气的产生很可能是由于这两种材料界面上存在不连续性极化。本文基于第一性原理GGA+U方法研究了Zn1-xMgxO合金的自发极化随Mg组分x的变化关系,其中极化特性的... 高迁移率的二维电子气在纤锌矿结构Zn1-xMgxO/Zn O异质结构中被发现,二维电子气的产生很可能是由于这两种材料界面上存在不连续性极化。本文基于第一性原理GGA+U方法研究了Zn1-xMgxO合金的自发极化随Mg组分x的变化关系,其中极化特性的计算采用Berry-phase方法。我们将极化分为3个部分:电子极化、晶格极化以及压电极化,结果表明压电极化在总极化中起着主要作用。 展开更多
关键词 氧化锌 氧化镁锌 自发极化 berry-phase方法
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Orbital magnetization of the electron gas on a two-dimensional kagome' lattice under a perpendicular magnetic field
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作者 YUAN ZiGang WANG ZhiGang +2 位作者 FU ZhenGuo LI ShuShen ZHANG Ping 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS 2012年第10期1791-1797,共7页
The orbital magnetization of the electron gas on a two-dimensional kagome' lattice under a perpendicular magnetic field is theoretically investigated.The interplay between the lattice geometry and magnetic field i... The orbital magnetization of the electron gas on a two-dimensional kagome' lattice under a perpendicular magnetic field is theoretically investigated.The interplay between the lattice geometry and magnetic field induces nontrivial k-space Chern invariant in the magnetic Brillouin zone,which turns to result in profound effects on the magnetization properties.We show that the Berry-phase term in the magnetization gives a paramagnetic contribution,while the conventional term brought about by the magnetic response of the magnetic Bloch bands produces a diamagnetic contribution.As a result,the superposition of these two components gives rise to a delicate oscillatory structure in the magnetization curve when varying the electron filling factor.The relationship between this oscillatory behavior and the Hofstadter energy spectrum is revealed by selectively discussing the magnetization and its two components at the commensurate fluxes of f = 1/4,1/3,and 1/6,respectively.In particular,we reveal as a typical example the fractal structure in the magnetic oscillations by tuning the commensurate flux around f = 1/4.The finite-temperature effect on the magnetization is also discussed. 展开更多
关键词 orbital magnetization berry-phase kagom lattice Hofstadter energy spectrum de Haas-van Alphen oscillations
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