Recently fabricated two-dimensional phosphorene crystal structures have demonstrated great potential in applications of electronics. In this paper, strain effect on the electronic band structure of phosphorene was studied using first-principles methods including density functional theory (DFT) and hybrid functionals. It was found that phosphorene can withstand a tensile stress and strain up to 10 N/m and 30%, respectively. The band gap of phosphorene experiences a direct-indirect-direct transition when axial strain is applied. A moderate −2% compression in the zigzag direction can trigger this gap transition. With sufficient expansion (+11.3%) or compression (−10.2% strains), the gap can be tuned from indirect to direct again. Five strain zones with distinct electronic band structure were identified, and the critical strains for the zone boundaries were determined. Although the DFT method is known to underestimate band gap of semiconductors, it was proven to correctly predict the strain effect on the electronic properties with validation from a hybrid functional method in this work. The origin of the gap transition was revealed, and a general mechanism was developed to explain energy shifts with strain according to the bond nature of near-band-edge electronic orbitals. Effective masses of carriers in the armchair direction are an order of magnitude smaller than that of the zigzag axis, indicating that the armchair direction is favored for carrier transport. In addition, the effective masses can be dramatically tuned by strain, in which its sharp jump/drop occurs at the zone boundaries of the direct-indirect gap transition.

Photoluminescence spectroscopy has been used to determine the direct gap E₀ of Ge_1-ySn_y alloys over a broad compositional range from pure Ge to Sn concentrations exceeding 10%. A fit of the compositional dependence of E₀ using a standard quadratic expression is not fully satisfactory, revealing that the bowing parameter (quadratic coefficient) b₀ is compositionally dependent. Excellent agreement with the data is obtained with b₀(y) = (2.66 ± 0.09) eV − (5.4 ± 1.1)y eV. A theoretical model of the bowing is presented, which explains the strong compositional dependence of the bowing parameter and suggest a similar behavior for the indirect gap. Combining the model predictions with experimental data for samples with y ≤ 0.06, it is proposed that the bowing parameter for the indirect gap is b_ind(y) = (1.11 ± 0.07) eV − (0.78 ± 0.05)y eV. The compositional dependence of the bowing parameters shifts the crossover concentration from indirect to direct gap behavior to y_c  = 0.087, significantly higher than the value predicted earlier based on strictly quadratic fits.

Novel hydride chemistries are employed to deposit light-emitting Ge_1-y Sn_yalloys with y ≤ 0.1 by Ultra-High Vacuum Chemical Vapor Deposition (UHV-CVD) on Ge-buffered Si wafers. The properties of the resultant materials are systematically compared with similar alloys grown directly on Si wafers. The fundamental difference between the two systems is a fivefold (and higher) decrease in lattice mismatch between film and virtual substrate, allowing direct integration of bulk-like crystals with planar surfaces and relatively low dislocation densities. For y ≤ 0.06, the CVD precursors used were digermane Ge₂H₆ and deuterated stannane SnD₄. For y ≥ 0.06, the Ge precursor was changed to trigermane Ge₃H₈, whose higher reactivity enabled the fabrication of supersaturated samples with the target film parameters. In all cases, the Ge wafers were produced using tetragermane Ge₄H₁₀ as the Ge source. The photoluminescence intensity from Ge_1-y Sn_y /Ge films is expected to increase relative to Ge_1-y Sn_y /Si due to the less defected interface with the virtual substrate. However, while Ge_1-y Sn_y /Si films are largely relaxed, a significant amount of compressive strain may be present in the Ge_1-y Sn_y /Ge case. This compressive strain can reduce the emission intensity by increasing the separation between the direct and indirect edges. In this context, it is shown here that the proposed CVD approach to Ge_1-y Sn_y /Ge makes it possible to approach film thicknesses of about 1  μm, for which the strain is mostly relaxed and the photoluminescence intensity increases by one order of magnitude relative to Ge_1-y Sn_y /Si films. The observed strain relaxation is shown to be consistent with predictions from strain-relaxation models first developed for the Si_1-x Ge_x /Si system. The defect structure and atomic distributions in the films are studied in detail using advanced electron-microscopy techniques, including aberration corrected STEM imaging and EELS mapping of the average diamond–cubic lattice.

Optically pumped deep-ultraviolet (DUV) lasing with low threshold was demonstrated from AlGaN-based multiple-quantum-well (MQW) heterostructures grown on sapphire substrates. The epitaxial layers were grown pseudomorphically by metalorganic chemical vapor deposition on (0001) sapphire substrates. Stimulated emission was observed at wavelengths of 256 nm and 249 nm with thresholds of 61 kW/cm² and 95 kW/cm² at room temperature, respectively. The thresholds are comparable to the reported state-of-the-art AlGaN-based MQW DUV lasers grown on bulk AlN substrates emitting at 266 nm. These low thresholds are attributed to the optimization of active region and waveguide layer as well as the use of high-quality AlN/sapphire templates. The stimulated emission above threshold was dominated by transverse-electric polarization. This work demonstrates the potential candidacy of sapphire substrates for DUV diode lasers.

We demonstrate transverse-magnetic (TM) dominant deep-ultraviolet (DUV) stimulated emission from photo-pumped AlGaN multiple-quantum-well lasers grown pseudomorphically on an AlN/sapphire template by means of photoluminescence at room temperature. The TM-dominant stimulated emission was observed at wavelengths of 239, 242, and 243 nm with low thresholds of 280, 250, and 290 kW/cm[superscript 2], respectively. In particular, the lasing wavelength of 239 nm is shorter compared to other reports for AlGaN lasers grown on foreign substrates including sapphire and SiC. The peak wavelength difference between the transverse-electric (TE)-polarized emission and TM-polarized emission was approximately zero for the lasers in this study, indicating the crossover of crystal-field split-off hole and heavy-hole valence bands. The rapid variation of polarization between TE- and TM-dominance versus the change in lasing wavelength from 243 to 249 nm can be attributed to a dramatic change in the TE-to-TM gain coefficient ratio for the sapphire-based DUV lasers in the vicinity of TE-TM switch.

The emission properties of GeSn heterostructure pin diodes have been investigated. The devices contain thick (400–600 nm) Ge_1-y Sn_y i-layers spanning a broad compositional range below and above the crossover Sn concentration y_c where the Ge_1-y Sn_y alloy becomes a direct-gap material. These results are made possible by an optimized device architecture containing a single defected interface thereby mitigating the deleterious effects of mismatch-induced defects. The observed emission intensities as a function of composition show the contributions from two separate trends: an increase in direct gap emission as the Sn concentration is increased, as expected from the reduction and eventual reversal of the separation between the direct and indirect edges, and a parallel increase in non-radiative recombination when the mismatch strains between the structure components is partially relaxed by the generation of misfit dislocations. An estimation of recombination times based on the observed electroluminescence intensities is found to be strongly correlated with the reverse-bias dark current measured in the same devices.

The compositional dependence of the lowest direct and indirect band gaps in Ge_1-ySn_y alloys has been determined from room-temperature photoluminescence measurements. This technique is particularly attractive for a comparison of the two transitions because distinct features in the spectra can be associated with the direct and indirect gaps. However, detailed modeling of these room temperature spectra is required to extract the band gap values with the high accuracy required to determine the Sn concentration y_c at which the alloy becomes a direct gap semiconductor. For the direct gap, this is accomplished using a microscopic model that allows the determination of direct gap energies with meV accuracy. For the indirect gap, it is shown that current theoretical models are inadequate to describe the emission properties of systems with close indirect and direct transitions. Accordingly, an ad hoc procedure is used to extract the indirect gap energies from the data. For y < 0.1 the resulting direct gap compositional dependence is given by ΔE₀ = −(3.57 ± 0.06)y (in eV). For the indirect gap, the corresponding expression is ΔE_ind = −(1.64 ± 0.10)y (in eV). If a quadratic function of composition is used to express the two transition energies over the entire compositional range 0 ≤ y ≤ 1, the quadratic (bowing) coefficients are found to be b₀ = 2.46 ± 0.06 eV (for E0) and b_ind = 1.03 ± 0.11 eV (for E_ind). These results imply a crossover concentration y_c = $0.073 [+0.007 over -0.006], much lower than early theoretical predictions based on the virtual crystal approximation, but in better agreement with predictions based on large atomic supercells.

InAs quantum dot multilayers have been grown using Al_xGa_1-x As spacers with dimensions and compositions near the theoretical values for optimized efficiencies in intermediate band photovoltaic cells. Using an aluminum composition of x = 0.3 and InAs dot vertical dimensions of 5 nm, transitions to an intermediate band with energy close to the ideal theoretical value have been obtained. Optimum size uniformity and density have been achieved by capping the quantum dots with GaAs following the indium-flush method. This approach has also resulted in minimization of crystalline defects in the epilayer structure.

The relationship between carrier concentration and donor atomic concentration has been determined in n-type Ge films doped with P. The samples were carefully engineered to minimize non-active dopant incorporation by using specially designed P(SiH₃)₃ and P(GeH₃)₃ hydride precursors. The in situ nature of the doping and the growth at low temperatures, facilitated by the Ge₃H₈ and Ge₄H₁₀ Ge sources, promote the creation of ultra-low resistivity films with flat doping profiles that help reduce the errors in the concentration measurements. The results show that Ge deviates strongly from the incomplete ionization expected when the donor atomic concentration exceeds N_d  = 10¹⁷ cm^-3, at which the energy separation between the donor and Fermi levels ceases to be much larger than the thermal energy. Instead, essentially full ionization is seen even at the highest doping levels beyond the solubility limit of P in Ge. The results can be explained using a model developed for silicon by Altermatt and coworkers, provided the relevant model parameter is properly scaled. The findings confirm that donor solubility and/or defect formation, not incomplete ionization, are the major factors limiting the achievement of very high carrier concentrations in n-type Ge. The commercially viable chemistry approach applied here enables fabrication of supersaturated and fully ionized prototypes with potential for broad applications in group-IV semiconductor technologies.

We report the crack-free growth of a 45-pair Al_0.30Ga_0.70N/Al_0.04Ga_0.96N distributed Bragg reflector (DBR) on 2 in. diameter AlN/sapphire template by metalorganic chemical vapor deposition. To mitigate the cracking issue originating from the tensile strain of Al_0.30Ga_0.70N on GaN, an AlN template was employed in this work. On the other hand, strong compressive strain experienced by Al_0.04Ga_0.96N favors 3D island growth, which is undesired. We found that inserting an 11 nm thick GaN interlayer upon the completion of AlN template layer properly managed the strain such that the Al_0.30Ga_0.70N/Al_0.04Ga_0.96N DBR was able to be grown with an atomically smooth surface morphology. Smooth surfaces and sharp interfaces were observed throughout the structure using high-angle annular dark-field imaging in the STEM. The 45-pair AlGaN-based DBR provided a peak reflectivity of 95.4% at λ = 368 nm with a bandwidth of 15 nm.