【摘 要】
:
Employing Monte Carlo simulations based on the cluster expansion,the special quasi-random structures and first-principles calculations,we systematically investi
【机 构】
:
School of Materials and Physics, China University of Mining and Technology, Xuzhou 221116“,”School o
论文部分内容阅读
Employing Monte Carlo simulations based on the cluster expansion,the special quasi-random structures and first-principles calculations,we systematically investigate the structure transition of BeZnO2 alloys from the ordered to the disordered phase driven by the increased synthesis temperature,together with the solid-state phase diagram,It is found that by controlling the ordering parameter at the mixed sublattice,the band structure can vary continuously from a wide direct band gap of 4.61 eV for the fully ordered structure to a relatively narrow direct band gap of 3.60eV for the fully disordered structure.Therefore,a better optical performance could be achieved simply by controlling the synthesis temperature,which determines the ordering parameters and thus the band gaps.
其他文献
Apatite ceramics Ca10(PO4)6X2 (X =F,OH) were prepared by the standard solid state sintering method and irradiated with He ions under a fluence of 5 × 1016 ions
从“一无所有”开始,经过“自给自足”,互联网的新闻信息用不夸张的话来形容,已经进入了“极大丰富”的时期.
The effect of growth temperature of barriers on photoelectric properties of GaN-based yellow light emitting diodes (LEDs) is investigated.It is found that as th
省委、省政府印发的《河北省中长期教育改革和发展规划纲要(2010—2020年))(以下简称《教育规划纲要)),全面规划、部署了未来10年我省教育改革和发展的目标、任务,并从教育改
We investigate the surface structure and electronic properties of β-Sn islands deposited on a graphitized 6H-SiC(0001) substrate via low temperature scanning t
A dual silicide layer structure is proposed for Schottky barrier metal-oxide-semiconductor field effect transistors (MOSFETs) on bulk substrates.The source/drai