Energetic stability and tuned electronic properties of boron-doped carbon phosphide monolayer

2019 ◽  
Author(s):  
Shivam Kansara ◽  
Sanjeev K. Gupta ◽  
Yogesh Sonvane ◽  
K. A. Nekrasov
2003 ◽  
Vol 199 (1) ◽  
pp. 9-18 ◽  
Author(s):  
E. Bustarret ◽  
E. Gheeraert ◽  
K. Watanabe

2017 ◽  
Vol 36 (1-2) ◽  
pp. 797-804
Author(s):  
Özgür Alver ◽  
Cemal Parlak ◽  
Mohamed I Elzagheid ◽  
Ponnadurai Ramasami

The interaction mechanisms of undoped, silicon- and boron-doped C20 fullerenes and 1-acetylpiperazine (1-ap) were investigated. Stability, electronic properties, influence of water on the solubility and stability, molecular parameters, descriptive vibrational bands and nuclear magnetic resonance shielding values are reported. The quantum mechanical calculations were carried out using the M06-2X functional and the 6-31G(d) basis set. It is observed that all the complexes are more stabilized in water compared to the gas phase. The most stable complex was found as silicon-doped fullerene interacting with the carbonyl edge of 1-ap releasing energy of 64.13 kcal/mol in water.


In this paper I review the evidence that shows that the optical and electronic properties of semiconducting diamond can be understood in terms of boron acceptors partially compensated by deep donors. In natural semiconducting diamond, in which the total impurity concentration is less than 1 ppm, there is a lot of fine structure in the acceptor absorption spectrum that is not fully understood, and the electrical conductivity is primarily associated with the thermally activated excitation of holes from the acceptor ground state to the valence band. Some of the problems regarding the analysis of Hall effect data in this material are discussed, including the temperature dependences of the scattering mechanisms, of the contribution from the split-off valence band and of the population of excited states. There are no adequate theoretical descriptions of any of these processes, and this leads to some uncertainties in the values of the parameters derived from the temperature dependence of the Hall coefficient. For boron-doped synthetic diamond, and thin film diamond grown by chemical vapour deposition (CVD), the defect concentrations are generally much higher, and much more inhomogeneous, than in natural semiconducting diamond. This results in a substantial broadening of the acceptor absorption spectrum and the electronic properties are greatly modified by increasing contributions from impurity band conduction as the acceptor concentrations are increased, leading to very low mobility values. For both poly crystalline and single crystal homoepitaxial CVD diamond, measurements of the electrical properties can be completely invalidated by the presence of a surface layer of non-diamond carbon.


2003 ◽  
Vol 199 (1) ◽  
pp. 3-3
Author(s):  
E. Bustarret ◽  
E. Gheeraert ◽  
K. Watanabe

2007 ◽  
Vol 989 ◽  
Author(s):  
Hyun Jung Lee ◽  
Andrei Sazonov ◽  
Arokia Nathan

AbstractWe report on the boron-doping dependence of the structural and electronic properties in nanocrystalline silicon (nc-Si:H) films directly deposited by plasma- enhanced chemical vapor deposition (PECVD). The crystallinity, micro-structure, and dark conductivity of the films were investigated by gradually varying the ratio of trimethylboron [B(CH3)3 or TMB] to silane (SiH4) from 0.1 to 2 %. It was found that the low level of boron doping (< 0.2 %) first compensated the nc-Si:H material which demonstrates slightly n-type properties. As the doping increased up to 0.5 %, the maximum dark conductivity (ód) of 1.11 S/cm was obtained while high crystalline fraction (Xc) of the films (over 70 %) was maintained. However, further increase in a TMB-to-SiH4 ratio reduced ód to the order of 10-7 S/cm due to a phase transition of the films from nanocrystalline to amorphous, which was indicated by Raman spectra measurements.P-channel nc-Si:H thin film transistors (TFTs) with top gate and staggered source/drain contacts were fabricated using the developed p+ nc-Si:H layer. The fabricated TFT exhibits a threshold voltage (VTp) of -26.2 V and field effective mobility of holes (μp) of 0.24 cm2/V·s.


Materials ◽  
2020 ◽  
Vol 13 (21) ◽  
pp. 4945
Author(s):  
Li-Hua Qu ◽  
Xiao-Long Fu ◽  
Chong-Gui Zhong ◽  
Peng-Xia Zhou ◽  
Jian-Min Zhang

We report first-principles calculations on the structural, mechanical, and electronic properties of O2 molecule adsorption on different graphenes (including pristine graphene (G–O2), N(nitrogen)/B(boron)-doped graphene (G–N/B–O2), and defective graphene (G–D–O2)) under equibiaxial strain. Our calculation results reveal that G–D–O2 possesses the highest binding energy, indicating that it owns the highest stability. Moreover, the stabilities of the four structures are enhanced enormously by the compressive strain larger than 2%. In addition, the band gaps of G–O2 and G–D–O2 exhibit direct and indirect transitions. Our work aims to control the graphene-based structure and electronic properties via strain engineering, which will provide implications for the application of new elastic semiconductor devices.


2010 ◽  
Vol 21 (28) ◽  
pp. 285204 ◽  
Author(s):  
M Dionízio Moreira ◽  
P Venezuela ◽  
R H Miwa

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