Effects of piezoelectricity and spontaneous polarization on electronic and optical properties of wurtzite III-V nitride quantum wells

A theoretical model accounting for the macropolarization effects in wurtzite III-V nitrides quantum wells (QWs) is presented. Energy dispersions and exciton binding energies are calculated within the framework of effective-mass theory and variational approach, respectively. Exciton-associated transitions (EATs) are studied in detail. An energy redshift as high as 450 meV is obtained in Al0.25GaN0.75/GaN QWs. Also, the abrupt reduction of optical momentum matrix elements is derived as a consequence of quantum-confined Stark effects. EAT energies are compared with recent photoluminescence (PL) experiments and numerical coherence is achieved. We propose that it is the EAT energy, instead of the conduction-valence-interband transition energy that is comparable with the PL energy. To restore the reduced transition rate, we apply an external electric field. Theoretical calculations show that with the presence of the external electric field the optical matrix elements for EAT increase 20 times. (C) 2001 American Institute of Physics.

The electronic structure of strained ZnO/MgxZn1-xO superlattices and the influence of polarization

Based on the effective-mass model, the lower energies of the electron and the hole of ZnO/MgxZn1-xO superlattices are calculated. Because of the mismatch of the lattice constant between the ZnO well and the MgxZn1-xO barrier, piezoelectric and spontaneous polarization exist in ZnO/MgxZn1-xO superlattices and a macroscopical internal electric held is found when well width L-w >4 nm and Mg concentration x > 0.2. The parameters of ZnO/MgxZn1-xO superlattices such as lattice constant, band offset, etc. are also proposed. Through calculations, we found the internal electric field can change the lowest energies of the electron and hole to 105.4 and 85.1 meV when well width L-w up to 70 angstrom, which will influence the electronic and optical properties of ZnO/MgxZn1-xO superlattices greatly, while the Rashba effect from the internal electric field is so small that it can be neglected. The ground state exciton energies with different Mg concentration x are also calculated by variational method, our results are very close to the experimental results when Mg concentration x <= 0.3. (C) 2008 Elsevier B.V. All rights reserved.

Influence of band bending and polarization on the valence band offset measured by x-ray photoelectron spectroscopy

The influence of band bending and polarization on the valence band offset measured by x-ray photoelectron spectroscopy (XPS) is discussed, and a modification method based on a modified self-consistent calculation is proposed to eliminate the influence and thus increasing the precision of XPS. Considering the spontaneous polarization at the surfaces and interfaces and the different positions of Fermi levels at the surfaces, we compare the energy band structures of Al/Ga-polar AlN/GaN and N-polar GaN/AlN heterojunctions, and give corrections to the XPS-measured valence band offsets. Other AlN/GaN heterojunctions and the piezoelectric polarization are also introduced and discussed in this paper.

Energy Principle And Nonlinear Electric-Mechanical Behavior Of Ferroelectric Ceramics

Many experimental observations have shown that a single domain in a ferroelectric material switches by progressive movement of domain walls, driven by a combination of electric field and stress. The mechanism of the domain switch involves the following steps: initially, the domain has a uniform spontaneous polarization; new domains with the reverse polarization direction nucleate, mainly at the surface, and grow though the crystal thickness; the new domain expands sideways as a new domain continues to form; finally, the domain switch coalesces to complete the polarization reversal. According to this mechanism, the volume fraction of the domain switching is introduced in the constitutive law of the ferroelectric material and used to study the nonlinear constitutive behavior of a ferroelectric body in this paper. The principle of stationary total potential energy is put forward in which the basic unknown quantities are the displacement u(i), electric displacement D-i and volume fraction rho(I) of the domain switching for the variant I. The mechanical field equation and a new domain switching criterion are obtained from the principle of stationary total potential energy. The domain switching criterion proposed in this paper is an expansion and development of the energy criterion established by Hwang et al. [ 1]. Based on the domain switching criterion, a set of linear algebraic equations for determining the volume fraction rho(I) of domain switching is obtained, in which the coefficients of the linear algebraic equations only contain the unknown strain and electric fields. If the volume fraction rho(I) of domain switching for each domain is prescribed, the unknown displacement and electric potential can be obtained based on the conventional finite element procedure. It is assumed that a domain switches if the reduction in potential energy exceeds a critical energy barrier. According to the experimental results, the energy barrier will strengthen when the volume fraction of the domain switching increases. The external mechanical and electric loads are increased step by step. The volume fraction rho(I) of domain switching for each element obtained from the last loading step is used as input to the constitutive equations. Then the strain and electric fields are calculated based on the conventional finite element procedure. The finite element analysis is carried out on the specimens subjected to uniaxial coupling stress and electric field. Numerical results and available experimental data are compared and discussed. The present theoretic prediction agrees reasonably with the experimental results.

Energy Functions And Basic Equations For Ferroelectrics

Energy functions (or characteristic functions) and basic equations for ferroelectrics in use today are given by those for ordinary dielectrics in the physical and mechanical communications. Based on these basic equations and energy functions, the finite element computation of the nonlinear behavior of the ferroelectrics has been carried out by several research groups. However, it is difficult to process the finite element computation further after domain switching, and the computation results are remarkably deviating from the experimental results. For the crack problem, the iterative solution of the finite element calculation could not converge and the solutions for fields near the crack tip oscillate. In order to finish the calculation smoothly, the finite element formulation should be modified to neglect the equivalent nodal load produced by spontaneous polarization gradient. Meanwhile, certain energy functions for ferroelectrics in use today are not compatible with the constitutive equations of ferroelectrics and need to be modified. This paper proposes a set of new formulae of the energy functions for ferroelectrics. With regard to the new formulae of the energy functions, the new basic equations for ferroelectrics are derived and can reasonably explain the question in the current finite element analysis for ferroelectrics.

紫外激光诱导近化学计量比钽酸锂晶体铁电畴反转

对紫外激光诱导近化学计量比钽酸锂晶体铁电畴反转进行了实验研究。波长为351 nm的连续紫外激光被聚焦在近化学计量比钽酸锂晶体的-z表面,同时沿与晶体自发极化相反的方向施加均匀外电场。实验证实紫外激光辐照可以有效地降低晶体畴反转所需的矫顽电场,采用数字全息干涉测量技术检测证实在激光辐照区域实现局域畴反转。研究表明采用紫外激光诱导可以实现对近化学计量比钽酸锂晶体铁电畴反转的局域控制。提出了物理机理的理论分析,认为外电场和激光辐照场的共同作用在晶体内部产生高浓度、大尺寸的缺陷结构,缺陷一定程度上降低畴体成核和畴

Measurement of polar C-plane and nonpolar A-plane InN/ZnO heterojunctions band offsets by x-ray photoelectron spectroscopy

The valence band offsets of the wurtzite polar C-plane and nonpolar A-plane InN/ZnO heterojunctions are directly determined by x-ray photoelectron spectroscopy to be 1.76 +/- 0.2 eV and 2.20 +/- 0.2 eV. The heterojunctions form in the type-I straddling configuration with a conduction band offsets of 0.84 +/- 0.2 eV and 0.40 +/- 0.2 eV. The difference of valence band offsets of them mainly attributes to the spontaneous polarization effect. Our results show important face dependence for InN/ZnO heterojunctions, and the valence band offset of A-plane heterojunction is more close to the "intrinsic" valence band offset.

Luminescence properties of multi-layer InGaN quantum dots grown on C- and R-plane sapphire substrates

In this study, we report comparative luminescence properties of multi-layer InGaN quantum dots grown on C- and R-plane sapphire substrates by metal organic chemical vapor deposition (MOCVD). High-density InGaN quantum dots (QDs) are formed on GaN templates by decreasing the growth temperature and increasing the adatom hopping-barrier through surface passivation. Atomic force microscopy (AFM) has been employed to estimate the size and height of these dots. Photoluminescence (PL) spectra recorded from (1120) InGaN QDs/(1102) sapphire show much stronger emission intensity compared to spectra recorded from (0001) InGaN QDs/(0001) sapphire. Due to the absence of strong spontaneous polarization and piezoelectric field, such (1150) InGaN QDs in the active layers would lead to high efficiency light emitting devices. (c) 2005 Elsevier B.V. All rights reserved.

Stark and rashba effects in GaN nanowires

The effects of an external electric field on the electronic structure of GaN nanowires, as well as GaAs nanowires for comparison, are investigated theoretically. It is found that there is an anti-crossing effect in GaN nanowires caused by a small electric field, the hole energy levels, hole wave functions, and optical oscillator strengths change dramatically when the radius (R) is around a critical radius (R-c), while this effect is absent in GaAs nanowires. When R is slightly smaller than R-c, the highest hole states are optically dark in the absence of the electric field, and a small electric field can change them to be optically bright, due to the coupling of hole states brought by the field. The Rashba spin-orbit effect is also studied. The electron Rashba coefficient alpha increases linearly with the electric field. While the hole Rashba coefficients beta do not increase linearly, but have complicated relationships with the electric field.

Effect of spontaneous and piezoelectric polarization on intersubband transition in AlxGa1-xN-GaN quantum well

A self-consistent solution of conduction band profile and subband energies for AlxGa1-xN-GaN quantum well is presented by solving the Schrodinger and Poisson equations. A new method is introduced to deal with the accumulation of the immobile charges at the AlxGa1-xN-GaN interface caused by spontaneous and piezoelectric polarization in the process of solving the Poisson equation. The effect of spontaneous and piezoelectric polarization is taken into account in the calculation. It also includes the effect of exchange-correlation to the one electron potential on the Coulomb interaction. Our analysis is based on the one electron effective-mass approximation and charge conservation condition. Based on this model, the electron wave functions and the conduction band structure are derived. We calculate the intersubband transition wavelength lambda(21) for different Al molar fraction of barrier and thickness of well. The calculated result can fit to the experimental data well. The dependence of the absorption coefficient a on the well width and the doping density is also investigated theoretically. (C) 2004 American Vacuum Society.

Polarization Self-Modulation Phenomenon in a Free Oscillated Nd: YAG Laser

Polarization self-modulation effect in a free oscillated Nd:YAG laser is investigated after a quarter wave plate is introduced independently in the two positions of the cavity. As described in the previous experiments, the intensity components in the orthogonal directions are modulated with a period of the round-trip time or twice. Different pulse shapes reveal that the seed field from the spontaneous emission is not uniform and seems to be stochastic for each pulse.

Elasticity, band-gap bowing, and polarization of AlxGa1-xN alloys

Elastic constants, the bulk modulus, Young's modulus, band-gap bowing coefficients, spontaneous and piezoelectric polarizations, and piezoelectric coefficients of hexagonal AlxGa1-xN ternary alloys are calculated using first-principles methods. The fully relaxed structures and the structures subjected to homogeneous biaxial and uniaxial tension are investigated. We show that the biaxial tension in the plane perpendicular to the c axis and the uniaxial tension along the c axis all reduce the bulk modulus, whereas they reduce and enhance Young's modulus, respectively. We find that the biaxial and uniaxial tension can enhance the bowing coefficients. We also find that the biaxial tension can enhance the total polarization, while the uniaxial tension will suppress the total polarization. (C) 2008 American Institute of Physics.

Effects of polarization field on formation of two-dimensional electron gas in (0001) and (11(2)over-bar0) plane AlGaN/GaN heterostructures

Photoluminescence (PL) and temperature-dependent Hall effect measurements were carried out in (0001) and (11 (2) over bar0) AlGaN/GaN heterostructures grown on sapphire substrates by metalorganic chemical vapor deposition. There are strong spontaneous and piezoelectric electric fields (SPF) along the growth orientation of the (0001) AlGaN/GaN heterostructures. At the same time there are no corresponding SPF along that of the (1120) AlGaN/GaN. A strong PL peak related to the recombination between two-dimensional electron gas (2DEG) and photoexcited holes was observed at 3.258 eV at room temperature in (0001) AlGaN/GaN heterointerfaces while no corresponding PL peak was observed in (11 (2) over bar0). The existence of a 2DEG was observed in (0001) AlGaN/GaN multi-layers with a mobility saturated at 6000 cm(2)/V s below 80 K, whereas a much lower mobility was measured in (11 (2) over bar0). These results indicated that the SPF was the main element to cause the high mobility and high sheet-electron-density 2DEG in AlGaN/GaN heterostructures. (C) 2004 Elsevier B.V. All rights reserved.

Polarization insensitive gain medium with hybrid strained quantum well

A polarization insensitive gain medium for optical amplifiers has been fabricated. The active layer is a structure with alternate tensile and compressive strain quantum wells. The waveguide is made into a taper with angled facets. In the experiment we found that the structure can suppress the lasing and decrease the polarization sensitivity. The gain imbalance between transverse electric and transverse magnetic gains is small, and 0.1 dB is obtained at a driving current of 100 mA. The full-width at half-maximum of amplified spontaneous emission is 40 nm within large current. (C) 2002 Elsevier Science Ltd. All rights reserved.

Impact of polarization on quasi-two-dimensional exciton and barrier-width dependence of the exciton associated transition in wurtzite III-V nitride quantum wells

Excitonic states in AlxGa1-xN/GaN quantum wells (QWs) are studied within the framework of effective-mass theory. Spontaneous and piezoelectric polarizations are included and their impact on the excitonic states and optical properties are studied. We witnessed a significant blue shift in transition energy when the barrier width decreases and we attributed this to the redistribution of the built-in electric field between well layers and barrier layers. For the exciton the binding energies, we found in narrow QWs that there exists a critical value for barrier width, which demarcates the borderline for quantum confinement effect and the quantum confined Stark effect. Exciton and free carrier radiative lifetimes are estimated by simple argumentation. The calculated results suggest that there are efficient non-radiative mechanisms in narrow barrier QWs. (C) 2002 Elsevier Science Ltd. All rights reserved.