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DOE OSTI2024

Field-Emission Properties of Vertically Aligned Carbon Nanotube Cathodes of Varying Geometries

This work characterizes the bulk emission properties of carbon nanotube (CNT) forest cathodes fabricated with various geometries. Geometries explored include dense nanotube forests of varying height grown on 5×5 mm silicon (Si) substrates and discrete, patterned CNT pillars fabricated using UV photolithography. Dense forests heights ranged from 526 μ m to 1.41 mm, with packing fraction for dense forest calculated to be 4e10 nanotubes/cm2 based on an average nanotube separation distance of 100 nm for fixed growth dense forests. Patterned sample micro pillar heights ranged from 47 to 393 μ m with pillar widths on tested samples ranging from 250 to 270 μ m . Properties explored include emission current, turn-on field, and emission current performance over time. A parallel plate electron beam diode with a 100- μ m A-K gap and an automated test apparatus were developed to provide a configurable experiment that provides accurate and repeatable measurements for dc, dc sweep, and timed performance testing. Operating voltages for the voltage sweeps spanned from 0 to −350 V. Furthermore, testing has shown evidence of a hysteresis effect on the emission current tied to the applied field history as well as shifting of the turn-on field magnitude throughout the testing period, suggesting a conditioning effect during use. Three separate emission regions in the I–V curves during sweep testing have also been observed. In the geometric study, dense forests and patterned samples were sweep tested up to a peak applied voltage of −250 V, with the taller samples generally performing better. Currents produced in the geometric study from the dense forest emitters ranged from 36.8 to 572.34 μ A , with current densities ranging from 15 to 2.29 mA/cm2. Currents produced from the patterned micropillar emitters ranged from 39.4 to 317.51 μ A , with current densities ranging from 67 to 3 mA/cm2. DC time testing s...

36 MATERIALS SCIENCE↗

DOE OSTI2013

Study of Mg{sub x}Cd{sub 1−x}O applying density functional theory: Stability, structural phase transition and electronic properties

Stability of B1 and B2 phases of Mg{sub x}Cd{sub 1−x}O is studied by calculating the formation energy within the framework of density functional theory applying the crystalline-orbital program package. Structural and electronic properties of the two polymorphs are reported for x=0.25, 0.50 and 0.75. The equilibrium lattice constants and bulk moduli are computed. Enthalpy calculations show pressure induced B1→B2 phase transitions at 92 GPa, 138 GPa and 212 GPa, respectively, for Mg{sub 0.25}Cd{sub 0.75}O, Mg{sub 0.50}Cd{sub 0.50}O and Mg{sub 0.75}Cd{sub 0.25}O compositions. Formation energy of ternary oxides in the B1 phase is negative with respect to mixing of B2-MgO with B1-CdO. Mixing B1-MgO with B2-CdO also leads to negative formation energy in Cd rich B1 phase ternary oxides (0≤x≤0.5). Band structure calculations predict direct band gaps in the B1 phase and indirect band gaps in the B2 phase ternary oxides. Mulliken population analysis is performed for the two polymorphs to study the charge transfer. - Graphical abstract: Diagram reveals trends in formation energy while mixing B2-MgO with B1-CdO to form B1-Mg{sub x}Cd{sub 1−x}O. Formation energies obtained from mixing isostructural and nonisostructural components are also shown. Display Omitted - Highlights: • Lattice constants and bulk moduli are computed for Mg{sub 0.25}Cd{sub 0.75}O, Mg{sub 0.50}Cd{sub 0.50}O and Mg{sub 0.75}Cd{sub 0.25}O compositions. • Enthalpy calculations signify pressure induced B1→B2 phase transitions at 92 GPa, 138 GPa and 212 GPa, respectively, in Mg{sub 0.25}Cd{sub 0.75}O, Mg{sub 0.50}Cd{sub 0.50}O and Mg{sub 0.75}Cd{sub 0.25}O. • Band structure calculations predict direct band gaps in the B1 phase ternary oxides. • In the B2 phase ternary oxides band structure calculations show valence band maximum along the Γ–X direction and the conduction band minimum at the Γ point of symmetry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

The 20 GHz circularly polarized, high temperature superconducting microstrip antenna array

The primary goal was to design and characterize a four-element, 20 GHz, circularly polarized microstrip patch antenna fabricated from YBa2Cu3O(x) superconductor. The purpose is to support a high temperature superconductivity flight communications experiment between the space shuttle orbiter and the ACTS satellite. This study is intended to provide information into the design, construction, and feasibility of a circularly polarized superconducting 20 GHz downlink or cross-link antenna. We have demonstrated that significant gain improvements can be realized by using superconducting materials for large corporate fed array antennas. In addition, we have shown that when constructed from superconducting materials, the efficiency, and therefore the gain, of microstrip patches increases if the substrate is not so thick that the dominant loss mechanism for the patch is radiation into the surface waves of the conductor-backed substrate. We have considered two design configurations for a superconducting 20 GHz four-element circularly polarized microstrip antenna array. The first is the Huang array that uses properly oriented and phased linearly polarized microstrip patch elements to realize a circularly polarized pattern. The second is a gap-coupled array of circularly polarized elements. In this study we determined that although the Huang array operates well on low dielectric constant substrates, its performance becomes extremely sensitive to mismatches, interelement coupling, and design imperfections for substrates with high dielectric constants. For the gap-coupled microstrip array, we were able to fabricate and test circularly polarized elements and four-element arrays on LaAlO3 using sputtered copper films. These antennas were found to perform well, with relatively good circular polarization. In addition, we realized a four-element YBa2Cu3O(x) array of the same design and measured its pattern and gain relative to a room temperature copper array. The patterns were essentially the same as that for the copper array. The measured gain of the YBCO antenna was greater than that for the room temperature copper design at temperatures below 82K, reaching a value of 3.4 dB at the lowest temperatures.

Morrow, Jarrett D.↗

DOE OSTI2021

Operation and performance of VRF systems: Mining a large-scale dataset

The energy consumption of air-conditioning systems has gained increasing attention as it contributes significantly to the global building energy use. The variable refrigerant flow (VRF) system is a common air-conditioning system applied widely in residential and office buildings in China. Understanding the actual operation and performance of VRF systems is fundamental for the energy-efficient design and operation of VRF systems. Previous research on VRF system operation used either limited field data covering certain building types and climate zones or used a questionnaire to obtain a larger dataset. However, they did not capture the wide applications of VRF systems quantitatively across all building types, climate zones, and operating conditions. To fill this gap, statistical and clustering analysis was conducted on the newly proposed key performance indicators of approximately 287,000 VRF systems for residential and commercial buildings in all five climate zones in China. In this work, the main findings are: (1) VRF systems are mainly used for cooling in all climate zones in China; (2) among all building types, the duration of use is lowest in residential buildings and highest in hotels and medical buildings; (3) the distribution of the ideal VRF cooling coefficient of performance (COP) is similar across all climate zones and building types; whereas the COPs of ideal VRF heating in the Severe Cold region and Cold regions are lower than those in other climate zones; and (4) partial load operations for VRF systems are common in residential buildings and office buildings due to the part-time-part-space operation mode. These findings can inform the actual application of VRF systems in China, supporting the design, operation, industry standard development, and performance optimization of VRF systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRSDate not supplied

CFD Simulations of Landing and Takeoff CRM High-Lift Configurations

Numerical simulations have been performed for a conventional high-lift version of the Common Research Model (CRM) model corresponding to landing and take- off configurations. Computed values of lift and drag for the landing configuration are compared with the experimental data acquired in the 14- by 22-Foot Subsonic Tunnel (14×22) at the NASA Langley Research Center (LaRC). Simulations replicated the experimentally observed improvements in the lift characteristics in the presence of a nacelle chine. Flow visualization images indicate that vortices generated by the nacelle chine reduce flow separation regions on the upper surface of the wing at higher angles of attack. Based on such observations, the take-off configuration considered is also equipped with a nacelle chine, and testing of this configuration is planned in the 14×22 tunnel in near future. Preliminary solutions are also presented to explore the feasibility of using a localized flap gap blowing (LFGB) active flow control concept for improving the aerodynamic performance at take-off conditions.

aerodynamics↗

NASA NTRSDate not supplied

CFD Simulations of Landing and Takeoff CRM High-Lift Configurations

aerodynamics↗

DOE OSTI2016

LIQUIDARMOR CM Flashing and Sealant, High Impact Technology Demonstration

Air leakage is responsible for about 1.1 quads of energy or 6% of the total energy used by commercial buildings in the US. Consequently, infiltration and exfiltration are among the largest envelope-related contributors to the heating, ventilation, and air conditioning loads in commercial buildings. New air sealing technologies have recently emerged that aim to improve the performance of air barrier systems by simplifying their installation procedure. LIQUIDARMORTM CM Flashing and Sealant is an example of these new advanced material technologies. This technology is a spray-applied sealant and liquid flashing and can span gaps that are up to ¼ in. wide without a supporting material. ORNL verified the performance of LIQUIDARMORTM CM with field tests and energy simulations from a building in which LIQUIDARMORTM CM was one of components of the air barrier system. The Homeland Security Training Center (HTC) at the College of DuPage in Glen Ellyn, IL, served as the demonstration site. Blower door test results show the average air leakage rate in the demonstration site to be 0.15 cfm/ft2 at 1.57 psf, or 63% lower than the 0.4 cfm at 1.57 psf specified in the 2015 International Energy Conservation Code (IECC). According to simulation results, HTC lowered its annual heating and cooling cost by about $3,000 or 9% compared to a similar building that lacked an air barrier system. This demonstration project serves as an example of the level of building envelope airtightness that can be achieved by using air barrier materials that are properly installed, and illustrates the energy and financial savings that such an airtight envelope could attain.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Roofline Analysis in the Intel® Advisor to Deliver Optimized Performance for applications on Intel® Xeon Phi™ Processor

In this session we show, in two case studies, how the roofline feature of Intel Advisor has been utilized to optimize the performance of kernels of the XGC1 and PICSAR codes in preparation for Intel Knights Landing architecture. The impact of the implemented optimizations and the benefits of using the automatic roofline feature of Intel Advisor to study performance of large applications will be presented. This demonstrates an effective optimization strategy that has enabled these science applications to achieve up to 4.6 times speed-up and prepare for future exascale architectures. # Goal/Relevance of Session The roofline model [1,2] is a powerful tool for analyzing the performance of applications with respect to the theoretical peak achievable on a given computer architecture. It allows one to graphically represent the performance of an application in terms of operational intensity, i.e. the ratio of flops performed and bytes moved from memory in order to guide optimization efforts. Given the scale and complexity of modern science applications, it can often be a tedious task for the user to perform the analysis on the level of functions or loops to identify where performance gains can be made. With new Intel tools, it is now possible to automate this task, as well as base the estimates of peak performance on measurements rather than vendor specifications. The goal of this session is to demonstrate how the roofline feature of Intel Advisor can be used to balance memory vs. computation related optimization efforts and effectively identify performance bottlenecks. A series of typical optimization techniques: cache blocking, structure refactoring, data alignment, and vectorization illustrated by the kernel cases will be addressed. # Description of the codes ## XGC1 The XGC1 code [3] is a magnetic fusion Particle-In-Cell code that uses an unstructured mesh for its Poisson solver that allows it to accurately resolve the edge plasma of a magnetic fusion device. After recent optimizations to its collision kernel [4], most of the computing time is spent in the electron push (pushe) kernel, where these optimization efforts have been focused. The kernel code scaled well with MPI+OpenMP but had almost no automatic compiler vectorization, in part due to indirect memory addresses and in part due to low trip counts of low-level loops that would be candidates for vectorization. Particle blocking and sorting have been implemented to increase trip counts of low-level loops and improve memory locality, and OpenMP directives have been added to vectorize compute-intensive loops that were identified by Advisor. The optimizations have improved the performance of the pushe kernel 2x on Haswell processors and 1.7x on KNL. The KNL node-for-node performance has been brought to within 30% of a NERSC Cori phase I Haswell node and we expect to bridge this gap by reducing the memory footprint of compute intensive routines to improve cache reuse. ## PICSAR is a Fortran/Python high-performance Particle-In-Cell library targeting at MIC architectures first designed to be coupled with the PIC code WARP for the simulation of laser-matter interaction and particle accelerators. PICSAR also contains a FORTRAN stand-alone kernel for performance studies and benchmarks. A MPI domain decomposition is used between NUMA domains and a tile decomposition (cache-blocking) handled by OpenMP has been added for shared-memory parallelism and better cache management. The so-called current deposition and field gathering steps that compose the PIC time loop constitute major hotspots that have been rewritten to enable more efficient vectorization. Particle communications between tiles and MPI domain has been merged and parallelized. All considered, these improvements provide speedups of 3.1 for order 1 and 4.6 for order 3 interpolation shape factors on KNL configured in SNC4 quadrant flat mode. Performance is similar between a node of cori phase 1 and KNL at order 1 and better on KNL by a factor 1.6 at order 3 with the considered test case (homogeneous thermal plasma).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Pressure effect on the electronic, structural, and vibrational properties of layered 2 H - MoTe 2

Layered molybdenum dichalchogenides differ from the classic example of bilayer graphene with their unique electronic properties: the application of pressure can continuously tune electronic structure since the band gap is controlled by delicate interlayer interaction. In this work, we have performed measurements of Raman scattering, synchrotron x-ray diffraction, electrical conductivity, and Hall coefficient combined with density functional theory calculations to synthetically study the pressure effect on $2H$-MoTe 2 . Both the experiments and calculations consistently demonstrate that MoTe2 undergoes a semiconductor-to-metallic (S-M) transition above 10 GPa. Unlike MoS 2 , the S-M transition is driven by the gradual tunability of electric structure and band gap without structural transition. The applied pressure also effectively enhances conductivity and carrier concentration while reducing the mobility, which makes MoTe 2 more suitable for applications than most other transition-metal dichalchogenides and allows it to be applied in strain-modulated optoelectronic devices.

36 MATERIALS SCIENCE↗

DOE OSTI2016

New Class of 3D Topological Insulator in Double Perovskite

In this work, we predict a new class of 3D topological insulators (TIs) in which the spin–orbit coupling (SOC) can more effectively generate band gap. Band gap of conventional TI is mainly limited by two factors, the strength of SOC and, from electronic structure perspective, the band gap when SOC is absent. While the former is an atomic property, the latter can be minimized in a generic rock-salt lattice model in which a stable crossing of bands at the Fermi level along with band character inversion occurs in the absence of SOC. Thus large-gap TIs or TIs composed of lighter elements can be expected. In fact, we find by performing first-principles calculations that the model applies to a class of double perovskites A 2 BiXO 6 (A = Ca, Sr, Ba; X = Br, I) and the band gap is predicted up to 0.55 eV. Besides, surface Dirac cones are robust against the presence of dangling bond at boundary.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

High Performance Green LEDs for Solid State Lighting

The development of white LEDs for solid state lighting (SSL) has been driven in recent years by phosphor converted LEDs (pc-LEDs). However, losses (known as Stokes’ losses) between the blue pump LED and phosphor impose a fundamental efficiency limit of ~300 lm/W on pc-LEDs. White light can also be generated from color mixed LEDs (cm-LEDs), which employ red, green, blue, and amber LEDs and have a fundamental efficiency limit of ~400 lm/W. Efficient group III-nitride materials are used for the blue LED, while efficient group III-phosphide materials are used for the red LED component. Currently, the poor efficiency of green and amber LEDs (i.e. the “green gap”) is the primary limitation for cm-LEDs. Relative to nitride-based blue LEDs, green and amber nitride LEDs suffer from lower radiative recombination rates and higher nonradiative recombination rates, which ultimately lead to reduced internal quantum efficiency (IQE). The IQE represents the portion of all electron-hole recombination events that result in a photon. In addition, long-wavelength LEDs have lower electrical efficiency (EE) compared to their blue counterparts. Addressing the green gap, would ultimately enable cm-LEDs that rival or exceed the performance of pc-LEDs. Our project focused on III-nitride materials growth and characterization, device fabrication and testing, and semiconductor physics to understand efficiency limitations of green LEDs and develop solutions to these challenges. Insights gained during our research has led to novel long-wavelength LED designs which will enable efficient solid-state lighting.

30 DIRECT ENERGY CONVERSION↗

NASA NTRS2014

Design Improvements and X-Ray Performance of a Time Projection Chamber Polarimeter for Persistent Astronomical Sources

The design of the Time-Projection Chamber (TPC) Polarimeter for the Gravity and Extreme Magnetism Small Explorer (GEMS) was demonstrated to Technology Readiness Level 6 (TRL-6)3 and the flight detectors fabricated, assembled and performance tested. A single flight detector was characterized at the Brookhaven National Laboratory Synchrotron Light Source with polarized X-rays at 10 energies from 2.3-8.0 keV at five detector positions. The detector met all of the GEMS performance requirements. Lifetime measurements have shown that the existing flight design has 23 years of lifetime4, opening up the possibility of relaxing material requirements, in particular the consideration of the use of epoxy, to reduce risk elsewhere. We report on design improvements to the GEMS detector to enable a narrower transfer gap that, when operated with a lower transfer field, reduces asymmetries in the detector response. In addition, the new design reduces cost and risk by simplifying the assembly and reducing production time. Finally, we report on the performance of the narrow-gap detector in response to polarized and unpolarized X-rays.

GEMS↗

DOE OSTI2024

The “energy gap law” for mid-infrared nanocrystals

Colloidal quantum dots are of increasing interest for mid-infrared detection and emission, but device performances will vastly benefit from reducing the non-radiative recombination. Empirically, the photoluminescence quantum yield decreases exponentially toward the mid-infrared, which appears similar to the energy gap law known for molecular fluorescence in the near-infrared. For molecules, the mechanism is electron–vibration coupling and fast internal vibrational relaxation. Here, we explore the possible mechanisms for inorganic quantum dots. The primary mechanism is assigned to an electric dipole near-field energy transfer from the quantum dot electronic transitions to the infrared absorption of surface organic ligands and then to the multiphonon absorption of the quantum dot inorganic core or the surrounding inorganic matrix. In order to obtain luminescent quantum dots in the 3–10 μm range, we motivate the importance of using inorganic matrices, which have a higher infrared transparency compared to organic materials. At longer wavelengths, inter-quantum dot energy transfer is noted to be much faster than radiative relaxation, indicating that bright mid-infrared colloidal quantum dot films might then benefit from dilution.

Chemistry↗

DOE OSTI2021

Accuracy, Bias, and Improvements in Mapping Crops and Cropland across the United States Using the USDA Cropland Data Layer

The U.S. Department of Agriculture’s (USDA) Cropland Data Layer (CDL) is a 30 m resolution crop-specific land cover map produced annually to assess crops and cropland area across the conterminous United States. Despite its prominent use and value for monitoring agricultural land use/land cover (LULC), there remains substantial uncertainty surrounding the CDLs’ performance, particularly in applications measuring LULC at national scales, within aggregated classes, or changes across years. To fill this gap, we used state- and land cover class-specific accuracy statistics from the USDA from 2008 to 2016 to comprehensively characterize the performance of the CDL across space and time. We estimated nationwide area-weighted accuracies for the CDL for specific crops as well as for the aggregated classes of cropland and non-cropland. We also derived and reported new metrics of superclass accuracy and within-domain error rates, which help to quantify and differentiate the efficacy of mapping aggregated land use classes (e.g., cropland) among constituent subclasses (i.e., specific crops). We show that aggregate classes embody drastically higher accuracies, such that the CDL correctly identifies cropland from the user’s perspective 97% of the time or greater for all years since nationwide coverage began in 2008. We also quantified the mapping biases of specific crops throughout time and used these data to generate independent bias-adjusted crop area estimates, which may complement other USDA survey- and census-based crop statistics. Our overall findings demonstrate that the CDLs provide highly accurate annual measures of crops and cropland areas, and when used appropriately, are an indispensable tool for monitoring changes to agricultural landscapes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Tunable gaps and enhanced mobilities in strain-engineered silicane

The recent demonstration of single-atom thick, sp{sup 3}-hybridized group 14 analogues of graphene enables the creation of materials with electronic structures that are manipulated by the nature of the covalently bound substituents above and below the sheet. These analogues can be electronically derived from isolated (111) layers of the bulk diamond lattice. Here, we perform systematic Density Functional Theory calculations to understand how the band dispersions, effective masses, and band gaps change as the bulk silicon (111) layers are continuously separated from each other until they are electronically isolated, and then passivated with hydrogen. High-level calculations based on HSE06 hybrid functionals were performed on each endpoint to compare directly with experimental values. We find that the change in the electronic structure due to variations in the Si-H bond length, Si-Si-Si bond angle, and most significantly the Si-Si bond length can tune the nature of the band gap from indirect to direct with dramatic effects on the transport properties. First-principles calculations of the phonon-limited electron mobility predict a value of 464 cm{sup 2}/Vs for relaxed indirect band gap Si-H monolayers at room temperature. However, for 1.6% tensile strain, the band gap becomes direct, which increases the mobility significantly (8 551 cm{sup 2}/Vs at 4% tensile strain). In total, this analysis of Si-based monolayers suggests that strain can change the nature of the band gap from indirect to direct and increase the electron mobility more than 18-fold.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Tightening McCormick Relaxations Toward Global Solution of the ACOPF Problem

Here, we show that a strong upper bound on the objective of the alternating current optimal power flow (ACOPF) problem can significantly improve the effectiveness of optimization-based bounds tightening (OBBT) on a number of relaxations. We additionally compare the performance of relaxations of the ACOPF problem, including the rectangular form without reference bus constraints, the rectangular form with reference bus constraints, and the polar form. We find that relaxations of the rectangular form significantly strengthen existing relaxations if reference bus constraints are included. Overall, relaxations of the polar form perform the best. However, neither the rectangular nor the polar form dominates the other. Ultimately, with these strategies, we are able to reduce the optimality gap to less than 0.1% on all but 5 NESTA test cases with up to 300 buses by performing OBBT alone.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2015

Ultrasonic Transducer Irradiation Test Results

Ultrasonic technologies offer the potential for high-accuracy and -resolution in-pile measurement of a range of parameters, including geometry changes, temperature, crack initiation and growth, gas pressure and composition, and microstructural changes. Many Department of Energy-Office of Nuclear Energy (DOE-NE) programs are exploring the use of ultrasonic technologies to provide enhanced sensors for in-pile instrumentation during irradiation testing. For example, the ability of small diameter ultrasonic thermometers (UTs) to provide a temperature profile in candidate metallic and oxide fuel would provide much needed data for validating new fuel performance models. Other ongoing efforts include an ultrasonic technique to detect morphology changes (such as crack initiation and growth) and acoustic techniques to evaluate fission gas composition and pressure. These efforts are limited by the lack of identified ultrasonic transducer materials capable of long term performance under irradiation test conditions. For this reason, the Pennsylvania State University (PSU) was awarded an ATR NSUF project to evaluate the performance of promising magnetostrictive and piezoelectric transducers in the Massachusetts Institute of Technology Research Reactor (MITR) up to a fast fluence of at least 10 21 n/cm 2 . The goal of this research is to characterize and demonstrate magnetostrictive and piezoelectric transducer operation during irradiation, enabling the development of novel radiation-tolerant ultrasonic sensors for use in Material Testing Reactors (MTRs). As such, this test is an instrumented lead test and real-time transducer performance data is collected along with temperature and neutron and gamma flux data. The current work bridges the gap between proven out-of-pile ultrasonic techniques and in-pile deployment of ultrasonic sensors by acquiring the data necessary to demonstrate the performance of ultrasonic transducers. To date, one piezoelectric transducer and two magnetostrictive transducers have demonstrated reliable operation under irradiation. The irradiation is ongoing.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

On the Synthesis and Photoluminescence and Cathodoluminescence Properties of CdSe, CdTe, PbS, InSb, and GaAs Colloidal Quantum Dots

Quantum dots of the group of wide-gap and narrow-gap semiconductors are synthesized and investigated under identical conditions, which makes it possible to perform the comparative analysis and modeling of the mechanisms of radiative recombination and luminescence, for which a stable exciton bond between the electron and hole has an important role. Exciton states are unstable for quantum dots without a shell and narrow-gap semiconductors, which leads to a substantial decrease in the probability of radiative recombination and, correspondingly, the quantum yield of luminescence. The experimental values of the spectral position of the luminescence maximum for quantum dots with clear manifestation of the exciton recombination mechanism noticeably shift to the long-wavelength region with respect to the calculated ones. In calculations and analysis, we use the effective electron mass for bulk semiconductors. The observed good correspondence of the calculated values of the maximum and spectral band with the experiment can mean that quantum dots have a long-range order crystalline structure similar to that one observed in single crystals and polycrystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗