Hydrogenic impurity states in zinc-blende InxGa1−xN/GaN in cylindrical quantum well wires

Within the framework of effective-mass approximation, the binding energy of a hydrogenic donor impurity in zinc-blende (ZB) In_xGa_1−x  N/GaN cylindrical quantum well wires (CQWWs) is investigated using variational procedures. Numerical results show that the ground-state donor binding energy _Eb$E_b$ is highly dependent on the impurity position and the CQWWs structure parameters. The donor binding energy for a shallow donor impurity located at the center of the CQWWs is the largest. As the impurity position changes from the center of the wire to its edge, the donor binding energy gets smaller. Also, we have found that In concentration is a very important value to tailor the system, since the binding energies close to binding energy maxima are strongly dependent on In content.     

Hydrogenic impurity states in zinc-blende InGaN quantum dot

Within the framework of effective-mass approximation, the binding energy of a hydrogenic donor impurity in a zinc-blende (ZB) InGaN/GaN cylindrical quantum dot (QD) is investigated using a variational procedure. Numerical results show that the donor binding energy is highly dependent on impurity position and QD size. The donor binding energy E_b is largest when the impurity is located at the center of the QD. The donor binding energy is decreased when the dot height (radius) is increased.     

Lateral electric field effects on quantum size confinement in cylindrical quantum dot under parabolic potential

Within the effective mass approximation, we investigated theoretically the ground-state energy of a single particle and the binding energy of the neutral donor impurity (D⁰) affected by a lateral electric field in a parabolic quantum dot (QD). The results show that the electron and the hole ground-state energy and the band to band transition energies shift to lower values (red shift) by increasing the field intensity. The quantum Stark shift (QSS) for the electron increases rapidly in the quasi spherical QD (QSQD) by increasing the lateral field, whereas for the hole it increases monotony. In the cylindrical QDs (CQDs), we found that the QSS for electron and hole increase monotonically. The quantum size, lateral electric field and impurity position effect on the binding energy of neutral donor (D⁰) is studied. Unexpected behavior of D⁰ in quantum well limit (QW), the binding energy of D⁰ is increasing (blue shift) with increasing QD radius R$R$ at the presence of a lateral electric field. It appears that for a fixed size of the QD, the off-center binding energy decreases when the impurity ion is displaced from the center to the QD borders, while it is shifted to lower energy with increasing the field.     

Electric field effect on the donor impurity states in zinc-blende symmetric InGaN/GaN coupled quantum dots

Based on the effective-mass approximation, the donor binding energy in a cylindrical zinc-blende (ZB) symmetric InGaN/GaN coupled quantum dots (QDs) is investigated variationally in the presence of an applied electric field. Numerical results show that the ground-state donor binding energy is highly dependent on the impurity positions, coupled QDs structure parameters and applied electric field. The applied electric field induces an asymmetric distribution of the donor binding energy with respect to the center of the coupled QDs. When the impurity is located at the center of the right dot, the donor binding energy has a maximum value with increasing the dot height. Moreover, the donor binding energy is the largest and insensitive to the large applied electric field (F?400 kV/cm) when the impurity is located at the center of the right dot in ZB symmetric In_0.1Ga_0.9N/GaN coupled QDs. In addition, if the impurity is located inside the right dot, the donor binding energy is insensitive to large middle barrier width (Lmb?2.5 nm) of ZB symmetric In_0.1Ga_0.9N/GaN coupled QDs.     

The electric field effect on binding energy of hydrogenic impurity in zinc-blende GaN/AlxGa1−xN spherical quantum dot

Within the framework of effective mass approximation, the binding energy of a hydrogenic donor impurity in zinc-blende GaN/Al_xGa_1−xN spherical quantum dot (QD) is investigated using the plane wave basis. The results show that the binding energy is highly dependent on impurity position, QD size, Al content and external field. The binding energy is largest when the donor impurity is located at the centre of the QD and the binding energy of impurity is degenerate for symmetrical positions with respect to the centre of QD without the external electric field. The maximum of the donor binding energy is shifted from the centre of QD and the degenerating energy levels for symmetrical positions with respect to the centre of QD are split in the presence of the external electric field. The binding energy is more sensitive to the external electric field for the larger QD and lower Al content. In addition, the Stark shift of the binding energy is also calculated.     

Simultaneous effects of temperature and pressure on the donor binding energy in a V-groove quantum wire

The influence of temperature and pressure, simultaneously, on the binding energy of a hydrogenic donor impurity in a ridge GaAs/Ga_1−xAl_xAs quantum wire is studied using a variational procedure within the effective mass approximation. The subband energy and the binding energy of the donor impurity in its ground state as a function of the wire bend width and impurity location at different temperatures and pressures are calculated. The results show that, when the temperature increases, the donor binding energy decreases for a constant applied pressure for all wire bend widths. Also, the binding energy increases by increasing the pressure for a constant temperature for all wire bend widths. In addition, when the temperature and pressure are applied simultaneously the binding energy decreases as the quantum wire bend width increases. On the whole, it is deduced that the temperature and pressure have important effects on the donor binding energy in a V-groove quantum wire.     

Effect of magnetic field and soft potential barrier on off-axis donor binding energy in a nanotube with two quantum wells

We analyze the effect of the magnetic field parallel to the axis and different potential shape on the ground-state binding energy of the off-axis donors in cylindrical nanotubes containing two GaAs/GaAlAs quantum wells (QWs) in a section of the tube layer. We express the wave function as a product of combinations of s and p subband wave functions and an envelope function that depends only on the electron-ion separation. By using the variational principle we derive a differential equation for the envelope function, which we solve numerically. Two peaks in the curves for the dependence of the ground-state binding energies on the donor distance from the axis are presented and it is shown that the increasing the magnetic field increasing the binding energy while the impurity is located in the QW1, whereas the opposite occurs when the impurity is located in the QW2.     

The hydrostatic pressure and temperature effects on donor impurities in GaAs/Ga1 − xAlxAs double quantum well under the external fields

The combined effects of hydrostatic pressure and temperature on donor impurity binding energy in GaAs/Ga_0.7Al_0.3As double quantum well in the presence of the electric and magnetic fields which are applied along the growth direction have been studied by using a variational technique within the effective-mass approximation. The results show that an increment in temperature results in a decrement in donor impurity binding energy while an increment in the pressure for the same temperature enhances the binding energy and the pressure effects on donor binding energy are lower than those due to the magnetic field.     

Polaronic effects on the energy levels of a double donor impurity in quantum wells in the presence of a magnetic field

In the presence of a magnetic field the Hamiltonian of the single or double polaron bound to a helium-type donor impurity in semiconductor quantum wells (QWs) are given in the case of positively charged donor center and neutral donor center. The couplings of an electron and the impurity with various phonon modes are considered. The binding energy of the single and double bound polaron in Al_xlGa _1-xlAs/GaAs/Al_xrGa _1-xrAs QWs are calculated. The results show that for a thin well the cumulative effects of the electron-phonon coupling and the impurity-phonon coupling can contribute appreciably to the binding energy in the case of ionized donor. In the case of neutral donor the contribution of polaronic effects are not very important, however the magnetic field significantly modifies the binding energy of the double donor. The comparison between the binding energies in the case of the impurity placed at the quantum well center and at the quantum well edge is also given. Received 16 February 1999     

Effects of built-in electric field on donor binding energy in InGaN/ZnSnN2 quantum well structures

In_xGa${}_{1?x}$N/ZnSnN₂ quantum well structures are studied in terms of a binding energy of a donor atom. 1s and $2p_{\pm }$ impurity states are considered. The Schrödinger's and Poisson's equations are solved self-consistently. A hydrogenic type wave function to represent each impurity state is assumed. The calculations include band-bending in the potential energy profile introduced by the built-in electric field existing along the structures. The binding energy and the energy of the transition between the impurity states are represented as a function of the quantum well width, the donor position, and the indium concentration. An external magnetic field up to 10 T is included into the calculations to compute the Zeeman splitting. The maximum value of the transition energy is around 30 meV (nearly 7.3 THz) which occurs in a 15-Å In_0.3Ga_0.7N/ZnSnN₂ quantum well. Being strong, the built-in electric field makes the transition energy drop quickly with the decreasing well width. For the same reason, the energy curves are found to be highly asymmetric function of the donor position around the well center. Compared to the bulk value, the transition energy in the quantum well structures enhances nearly two-fold.     

The structure of ion-acoustic waves in a low-frequency three-component electron–ion space plasma with two-electron populations

In the present paper, we have studied the binding energy of the shallow donor hydrogenic impurity, which is confined in an inhomogeneous cylindrical quantum dot (CQD) of \(\hbox {GaAs-Al}_{x}\hbox {Ga}_{1-x}\hbox {As}\). Perturbation method is used to calculate the binding energy within the framework of effective mass approximation and taking into account the effect of dielectric mismatch between the dot and the barrier material. The ground-state binding energy of the donor is computed as a function of dot size for finite confinement. The result shows that the ground-state binding energy decreases with the increase in dot size. The result is compared with infinite dielectric mismatch as a limiting case. The binding energy of the hydrogenic impurity is maximum for an on-axis donor impurity.     

B在Hg0.75Cd0.25Te中掺杂效应的第一性原理研究

基于密度泛函理论的第一性原理方法,通过形成能和束缚能的计算研究了B在Hg_0.75Cd_0.25Te 中的掺杂效应.结果表明B在Hg_0.75Cd_0.25Te中存在着两种主要形态:第一种是在完整的 Hg_0.75Cd_0.25Te材料中B稳定存在于六角间隙位置而非替位.此时,B形成容易激活的三级施主使材料表现为n型.另一种是在有Hg空位存在的Hg_0.75Cd_0.25Te中B更容易与Hg空位结合形成缺陷复合体,其束缚能达到了0.96 eV.这种复合体在Hg_0.75Cd_0.25Te材料中形成单施主也使材料表现为n型.考虑到辐照损伤形成的Hg空位受主,这种B与Hg空位的复合体是制约B离子在MCT中注入激活的一个重要因素.     

Strain-induced changes in the band gap of doped carbon nanotubes

The results of a theoretical research into the band gap of strained doped carbon nanotubes of two structural modifications of the “armchair” and “zigzag” types are described. The electronic states in the doped nanotubes are considered in terms of the periodic Anderson model. Nitrogen and boron atoms are selected as donor and acceptor substitutional defects, respectively. The dependences of the band gap of the carbon nanotubes on impurity concentration and compressive and tensile strain are studied.     

Changes in the chemical state and concentration of iron in carbon nanotubes obtained by the CVD method and exposed to pulsed ion irradiation

Data on the distribution of iron in nitrogen-containing multiwall carbon nanotubes (N-MWCNTs) and changes in its chemical state and concentration under different parameters of irradiation by a pulsed ion beam are obtained by methods of transmission electron microscopy, X-ray photoelectron spectroscopy, and energy dispersion analysis. It is shown that the irradiation of N-MWCNTs with an energy density of 0.5 J/cm² lead to the formation, on their lateral surfaces, of structures with a size of 2–10 nm, consisting of metallic iron encapsulated in a carbon shell. An increase in the energy density to 1–1.5 J/cm² leads to a substantial removal of iron clusters from the tips of carbon nanotubes and a reduction in the amount of iron in the bulk of the N-MWCNT layer.

     

单壁碳纳米管杨氏模量的掺杂效应

用分子动力学方法研究了N,O,Si,P,S等5种杂质对扶手椅型(5，5)和锯齿型(9，0)单壁碳纳米管杨氏模量的影响.结果表明：直径为0.678和0.704 nm的扶手椅型(5，5)和锯齿型(9，0)碳纳米管在无掺杂时其杨氏模量分别为948和804 GPa.在掺杂浓度10％以下，碳纳米管的拉伸杨氏模量均随掺杂浓度增加近似呈线性下降规律，下降率以Si掺杂最大，N掺杂最小.对与C同周期的元素掺杂，随原子序数增加碳纳米管的杨氏模量下降率增大；与C不同周期的元素掺杂，碳纳米管的杨氏模量随掺杂浓度增加下降率更大，但 关键词： 碳纳米管 杂质 杨氏模量 分子动力学方法     

Investigation of superconductivity in the single-walled carbon nanotubes

Superconductivity in the single-walled carbon nanotubes is investigated. First, effect of diameter increasing on the clean systems critical temperature, T_c, is calculated. Then effect of impurity doping on the reduction of critical temperature T_c, of single-walled carbon nanotubes, is discussed. Our calculations illustrate that metallic zigzag single-walled carbon nanotubes have higher T_c than armchair single-walled carbon nanotubes with approximately same diameters and T_c decreases by increasing diameter. This can explain why superconductivity could be found in the small diameter single-walled carbon nanotubes. We found for the impurity doped systems, impurity in the strong scattering regime can decrease T_c significantly while in the weak scattering regime T_c is not affected by impurity doping.     

Characterization of fluorinated multiwalled carbon nanotubes by x-ray absorption spectroscopy

The C 1s and F 1s x-ray absorption spectra of fluorinated multiwalled carbon nanotubes with different fluorine contents and reference compounds (highly oriented pyrolytic graphite crystals and “white” graphite fluoride) were measured using the equipment of the Russian-German beamline at the BESSY II storage ring with a high energy resolution. The spectra obtained were analyzed with the aim of characterizing multiwalled carbon nanotubes and their products formed upon treatment of the nanotubes with fluorine at a temperature of 420°C. It was established that, within the probing depth (～15 nm) of carbon nanotubes, the process of fluorination occurs uniformly and does not depend on the fluorine concentration. The interaction of fluorine atoms with multiwalled carbon nanotubes in this case proceeds through the covalent attachment of fluorine atoms to graphene layers of the graphite skeleton and is accompanied by a change in the hybridization of the 2s and 2p valence electron states of the carbon atom from the trigonal (sp ²) to tetrahedral (sp ³) hybridization.     

单壁碳纳米管能带及其电子特性研究

从能带理论出发,采用电子紧束缚能量色散关系,推导锯齿,扶手椅和手性单壁碳纳米管(SWCNT)的电子能带结构表达式,指出单壁碳纳米管或为金属或为半导体的判据。结果表示:单壁碳纳米管的电子结构与其几何结构密切相关,如扶手椅型单壁碳纳米管是金属性的,而对其它类型的单壁碳纳米管是与碳纳米管的手性指数有关,只有手性指数n和m的差别等于3的倍数时,单壁碳纳米管是金属性的,否则会显出有带隙的半导体特性。这意味着单壁碳纳米管是由特殊的电子传输和光学性质,在纳米电子学领域具有巨大的潜在应用价值。     

Effects of phosphorus-doping upon the electronic structures of single wall carbon nanotubes

The phosphorus-doped single wall carbon nanotube (PSWCNT) is studied by using First-Principle methods based on Density Function Theory (DFT). The formation energy, total energy, band structure, geometry structure and density of states are calculated. It is found that the formation energy of the P-doped single carbon nanotubes increases with diameters; the total energy of carbon nanotubes with the same diameter decreases as the doping rate increases. The effects of impurity position on the impurity level are discussed. It illustrates that the position of the impurity level may depend on the C-P-C bond angle. According to the above results, it is feasible to substitute a carbon atom with a phosphorus atom in SWCNT. It is also found that P-doped carbon nanotubes are N type semiconductor. Supported by the Natural Science Foundation of Fujian Province of China (Grant No. A0220001)     

DOUBLE BOUND POLARON IN QUANTUM WELLS

We have proposed the Hamiltonian of the single or double polaron bound to a helium-type donor impurity in semiconductor quantum wells (QWs) in the case of positively charged donor center and neutral donor center. The couplings of an electron with various phonon modes are considered; in particular, the interaction of the impurity with the various phonon modes is included. We have calculated the binding energy of a bound polaron in Al_(xl)Ga_1-(xl)As/GaAs/Al_(xr)Ga_1-(xr) As symmetric and asymmetric QWs. The results are obtained as a function of barrier height (or equivalently of Al concent ration x), well width, and the position of impurity in the QWs. Our numerical calculations show clearly that for a thin well the cumulative effects of the electron-phonon coupling and the impurity-phonon coupling can contribute appreciably to the donor binding energy. The enhancement of polaronic effect is also found in the case of ionized donor.