(n)nc-Si：H/(p)c-Si异质结中载流子输运性质的研究

采用常规等离子体增强化学气相沉积工艺,以高H₂稀释的SiH₄作为反应气体源和PH₃作为磷原子的掺杂剂,在p型(100)单晶硅((p)c-Si)衬底上, 成功地生长了施主掺杂型纳米硅膜((n)nc-Si:H),进而制备了(n)nc-Si:H/(p)c-Si异质结,并在230—420Ｋ温度范围内实验研究了该异质结的Ｉ-Ｖ特性.结果表明,(n)nc-Si:H/(p)c- Si异质结为一典型的突变异质结构,具有良好的温度稳定性和整流特性.正向偏压下 关键词： (n)nc-Si:H/(p)c-Si异质结 能带模型 电流输运机构 温度特性     

Phase stability,elastic, electronic,thermal and optical properties of Ti3Al1−xSixC2 (0≤x≤1): First principle study

The structural parameters with stability upon Si incorporation and elastic, electronic, thermodynamic and optical properties of Ti₃Al_1−xSi_xC₂ (0≤x≤1) are investigated systematically by the plane wave pseudopotential method based on the density functional theory (DFT). The increase of some elastic parameters with increasing Si-content renders the alloys to possess higher compressive and tensile strength. The Vickers hardness value obtained with the help of Mulliken population analysis increases as x is increased from 0 to 1. The solid solutions considered are all metallic with valence and conduction bands, which have a mainly Ti 3d character, crossing the Fermi level. The temperature and pressure dependences of bulk modulus, normalized volume, specific heats, thermal expansion coefficient, and Debye temperature are all obtained through the quasi-harmonic Debye model with phononic effects for T=0−1000 K and P=0−50 GPa. The obtained results are compared with other results available. Further an analysis of optical functions for two polarization vectors reveals that the reflectivity is high in the visible–ultraviolet region up to ∼10.5 eV region showing promise as a good coating material.