排序方式: 共有3条查询结果,搜索用时 5 毫秒
1
1.
Structural,electronic,and magnetic properties of transition-metal atom adsorbed two-dimensional GaAs nanosheet
下载免费PDF全文
![点击此处可从《中国物理 B》网站下载免费的PDF全文](/ch/ext_images/free.gif)
By using first-principles calculations within the framework of density functional theory,the electronic and magnetic properties of 3d transitional metal(TM) atoms(from Sc to Zn) adsorbed monolayer Ga As nanosheets(Ga As NSs) are systematically investigated.Upon TM atom adsorption,Ga As NS,which is a nonmagnetic semiconductor,can be tuned into a magnetic semiconductor(Sc,V,and Fe adsorption),a half-metal(Mn adsorption),or a metal(Co and Cu adsorption).Our calculations show that the strong p–d hybridization between the 3d orbit of TM atoms and the 4p orbit of neighboring As atoms is responsible for the formation of chemical bonds and the origin of magnetism in the Ga As NSs with Sc,V,and Fe adsorption.However,the Mn 3d orbit with more unpaired electrons hybridizes not only with the As 4p orbit but also with the Ga 4p orbit,resulting in a stronger exchange interaction.Our results may be useful for electronic and magnetic applications of Ga As NS-based materials. 相似文献
2.
3.
Variations in magnetic and electronic properties as a function of uniaxial strain in wurtzite(Ga,Mn)As nanowires(NWs) grown along the [0001] direction were investigated based on density functional theory(DFT). We found that(Ga,Mn)As NWs are half-metal, and the ferromagnetic state is their stable ground state. The magnetism of the NWs is significantly affected by the strain and by the substituent position of Mn impurities. By examining charge densities near the Fermi level, we found that strain can regulate the conductive region of the NWs. More interestingly, the size of spin-down band gap of the NWs is tunable by adjusting uniaxial stress, and the NWs can be converted from indirect to direct band gap under tension. 相似文献
1