Electronic properties and conductance suppression of defected and doped zigzag graphene nanoribbons

By using the first-principles calculation based on density functional theory, we investigate the electronic structures and transport properties of the defected and doped zigzag graphene nanoribbons (ZGNRs). The effects of multivacancies defects and impurities have been considered. The results show that band structures of ZGNRs can be tuned strongly and currents drop drastically due to the defect and impurities. Moreover, the notable suppression of conductance can be found near the Fermi level, leading to the negative differential resistance (NDR) behavior under low bias. This effect presents a possibility in novel nanoelectronics devices application.     

Temperature independent leakage current in Au/TbMnO3/Y Ba2Cu3O7−x capacitors

Au/TbMnO₃/Y Ba₂Cu₃O_7?x capacitors were fabricated on LaAlO₃ substrates and electrical characteristics were studied in the temperature range from 300 to 25 K. When temperature is higher than 225 K, Ohmic conduction is observed in the capacitors. Non-linear current–voltage characteristics are exhibited at low temperatures. Moreover, temperature-independent leakage currents are found at temperatures lower than 150 K. These electrical characteristics can be explained in terms of conduction transition originated from a thermal activation between 225 and 150 K, and the temperature-independent leakage currents are governed by the Poole–Frenkel emission and minor trap ionization energies.     

Ferromagnetism in noncompensated (Mn,Ga)-codoped ZnO films

Mn/Ga noncompensated codoped ZnO films were prepared on c-cut sapphire substrates via pulsed laser deposition. The structural, magnetic, transport, and optical properties of the films were then investigated. Addition of the Ga donor increases the electron concentration and enhances the magnetization in these films because of the net negative charge of the special noncompensated codoping, which can adjust the carrier concentration as well as the magnetic moment. Moreover, the Fermi level moves into the conduction band because of the increase in electron concentration, which results in an increase in the optical band gap value, from 3.28 eV for the undoped ZnO film to 3.61 eV for the (Mn,Ga)-codoped ZnO film.     

Preparation of Nd-doped BiFeO3 films and their electrical properties

The Nd-doped BiFeO₃ thin films were prepared on SnO₂(FTO) substrates spin-coated by the sol–gel method using Nd(NO₃)₃·6H₂O, Fe(NO₃)₃·9H₂O and Bi(NO₃)₃·5H₂O as raw materials. The microstructure and electric properties of the BiFeO₃ thin films were characterized and tested. The results indicate that the diffraction peak of the Nd-doped BiFeO₃ films is shifted towards right as the doping amounts are increased. The structure is transformed from the rhombohedral to pseudotetragonal phase. The crystal grain is changed from an elliptical to irregular polyhedron. Structure transition occurring in the Bi_0.85Nd_0.15FeO₃ films gives rise to the largest Pr of 64 μC/cm². The leakage conductance of the Nd doped thin films is reduced. The dielectric constant and dielectric loss of Bi_0.85Nd_0.15FeO₃ thin film at 10 kHz are 190 and 0.017 respectively.     

Metal enhanced photoluminescence of near-infrared CdTexSe1−x quantum dots

High-quality alloyed near-infrared CdTe_xSe_1?x quantum dots were synthesized by a modified organometallic method. The emission wavelength of the alloyed quantum dots were turned from visible to near-infrared range by changing the composition of the precursor. The photoluminescence intensity of the alloyed quantum dots was further enhanced by coupling through localized surface plasmons from Au nanoparticles. The alloyed CdTeSe quantum dots coupled with Au nanoparticles exhibited a 4 times photoluminescence enhancement than that of bare CdTeSe quantum dots by turning the localized surface plasmons resonant absorption of Au nanoparticles consistent to the excitation wavelength. This method will be beneficial for the potential applications in the biological imaging and detection.     

Super-thin cloaks mediated by spoof surface plasmons

We demonstrated the possibility of designing super-thin electromagnetic cloaks based on spoof surface plasmon (SSP). Using a metamaterial layer, incident waves can be coupled into SSP efficiently at the air/metamaterial interface. Due to the strong surface confinement of SSP, EM waves are squeezed into and propagate in deep sub-wavelength scales. Implementation of an 8.2 GHz cloak less than 1/50 the cloaking diameter was presented using split ring resonator (SRR). Excellent cloaking effect was verified by simulations. Rather than isolating objects from the background, such cloaks can drastically enhance the field intensity around the cloaked object. This is of particular importance in applications such as weak wave detection and near-field sensing.     

Unique geometric and electronic structure of CO adsorbed on Ge(100): A DFT study

CO adsorption on the Ge(100) surface has been investigated using a slab model with density functional theory implemented in SIESTA. CO was found to be exclusively adsorbed on the asymmetric dimer with C attaching on the lower Ge dimer atom. The adsorption process is barrierless. The calculated adsorption energy and vibration frequencies are comparable to previous experimental results. The crystal orbital Hamilton analysis showed that the bonding between Ge and CO is mainly attributable to the Ge 4p_z orbital overlapping with C 2 s, or with CO molecular orbitals 3σ and 4σ. The repulsive energy between adsorbed CO molecules is less than 1 kcal/mol. The diffusion barrier of CO on the Ge(100) surface is about 14 kcal/mol.     

点缺陷对硼掺杂直拉硅单晶p/p~+外延片中铜沉淀的影响

系统研究了点缺陷对晶体硅中氧沉淀生成的影响,及点缺陷和氧沉淀对重掺硼直拉硅单晶p/p⁺外延片中铜沉淀的影响.样品先在不同的气氛下进行1250℃/60 s快速热处理,随后在750℃/8 h+1050℃/16 h常规热处理过程中引入铜沾污.通过腐蚀结合光学显微镜研究发现,以O₂作为保护气氛时,p⁺衬底中的沉淀密度较小,以Ar和N₂作为保护气氛时,重掺硼p⁺衬底中生成了高密度的沉淀,且在上述所有样品的外延层中均无缺陷生成.研究认为,以O₂作为保护气时引入的自间隙硅原子（Si_I）可以抑制沉淀的形成,而以Ar和N₂作为保护气氛时引入的空位则会促进沉淀的生成,这是导致此差异的主要原因.另外,研究还发现,p/p⁺外延结构能很好地吸除硅片中的铜杂质,从而保持了外延层的洁净.     

Femtosecond laser-induced microstructure in Foturan glass

We report on the microstructure formation in Foturan glass, induced by 1~kHz, 120 femtosecond laser irradiation. It is found that the line-shaped filamentation, not void array tends to be formed in this glass. This is different from our previous experimental results in fused silica and BK7 glasses. A possible mechanism Ag$^+$ captures the free electrons generated by laser, is proposed to explain the observed phenomena.     

几种三元过渡金属碳化物弹性及电子结构的第一性原理研究

基于密度泛函理论平面波方法研究了六方WC型Re_xW_1－xC(x=1, 0.25, 0.75, 0),Re_0.5Os_0.5C和Os_0.5W_0.5C的晶体结构、弹性和电子结构性质.研究发现Re_0.25W_0.75C晶体具有优异的弹性性能及稳定性,其剪切模量(312 GPa)超过了所有其他实验合成和