Search NASA⌕ Search

SEARCH · Search NASA

Results for “phosphorus doping”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2

Photothermal alternative to device fabrication using atomic precision advanced manufacturing techniques

The attachment of dopant precursor molecules to depassivated areas of hydrogen-terminated silicon templated with a scanning tunneling microscope (STM) has been used to create electronic devices with subnanometer precision, typically for quantum physics experiments. This process, which we call atomic precision advanced manufacturing (APAM), dopes silicon beyond the solid-solubility limit and produces electrical and optical characteristics that may also be useful for microelectronic and plasmonic applications. However, scanned probe lithography lacks the throughput required to develop more sophisticated applications. In this work, we demonstrate and characterize an APAM device workflow where scanned probe lithography of the atomic layer resist has been replaced by photolithography. An ultraviolet laser is shown to locally and controllably heat silicon above the temperature required for hydrogen depassivation on a nanosecond timescale, a process resistant to under- and overexposure. STM images indicate a narrow range of energy density where the surface is both depassivated and undamaged. Modeling that accounts for photothermal heating and the subsequent hydrogen desorption kinetics suggests that the silicon surface temperatures reached in our patterning process exceed those required for hydrogen removal in temperature-programmed desorption experiments. A phosphorus-doped van der Pauw structure made by sequentially photodepassivating a predefined area and then exposing it to phosphine is found to have a similar mobility and higher carrier density compared with devices patterned by STM. Lastly, it is also demonstrated that photodepassivation and precursor exposure steps may be performed concomitantly, a potential route to enabling APAM outside of ultrahigh vacuum.

nanoscale devices↗

Microwave Annealing for Fast and Effective Hydrogen Activation in Polycrystalline Silicon Passivating Contacts

Hydrogenation is a crucial step in the fabrication of high-efficiency silicon solar cells. In this study, the effectiveness of hydrogen activation is demonstrated via microwave annealing of hydrogen-rich dielectrics coated on poly-Si passivating contacts. This method is compared with conventional hydrogenation techniques, such as annealing in N2 in the presence of a hydrogen-rich source (such as hydrogenated aluminum oxide (AlOx:H), hydrogenated silicon nitride (SiNy:H), or a AlOx:H/SiNy:H stack). Key improvements observed include a reduction in J0 from 30 to <5 fA cm-2, an increase in iVoc from 690 to >730 mV, and an enhancement in effective lifetime (teff) from 0.6 to ~3.5 milliseconds on phosphorus-doped poly-Si/SiO2 passivating contact samples. With a very short annealing time of ~1-2 min, the samples passivated by AlOx:H, SiNy:H, or the stack show similar performance to samples subjected to 30 min of nitrogen annealing. Photoluminescence (PL) spectra corroborate the findings regarding the hydrogenation of the poly-Si layer and the c-Si substrate, with an increase in PL intensity after microwave annealing. Ultimately, this work suggests that microwave annealing could be a promising addition, offering flexibility to traditional firing hydrogenation processes.

hydrogenation↗

Understanding the origin of Tabula Rasa-induced defects in n-type Cz c-Si: The case of nitrogen atmosphere

Phosphorus-doped Czochralski-grown silicon (Cz-Si) has been gaining market share in the large-scale manufacturing of high-efficiency silicon (Si)-based photovoltaic (PV) devices thanks to higher carrier lifetimes than their boron-doped counterpart. However, the fabrication of n-type Cz-Si based solar cells often requires process steps with much higher temperatures and longer times than p-type Silicon. Defect interaction with the high temperatures during such processes tend to be detrimental to the n-type Cz-Si carrier lifetime, therefore limiting the final device efficiency. Short thermal anneals before cell processing, known as Tabula Rasa (TR), have been proposed to mitigate the thermally induced lifetime degradation during n-type Cz-Si solar cell fabrication. This work thoroughly investigates the defects responsible for the lifetime degradation after TR in a N 2 atmosphere treatment. We use temperature-injection-dependent lifetime spectroscopy and the thickness variation method to decouple the effects of TR treatment in the bulk and the surface of the n-type Cz-Si wafers. Using the defect parameter contour mapping (DPCM), we identify the defect energy level (E t ) and the capture cross-section ratio (k) of the most likely process-induced defect, which aligns with previously proposed Si vacancy-associated defects. The DPCM reveals that these vacancy-associated defects have a shallow energy level E t - E v ~0.13 eV and very efficient electron capture cross section k~600. Unexpectedly, the bulk degradation due to vacancy defects in the volume of the wafer, is accompanied by a significant increase in the surface recombination as well. Through evaluating the surface recombination velocity temperature- and injection dependence, we show that after TR, at room temperature and for an injection level of 10 15 cm -3 , in a wafer passivated with a-Si:H(i) the surface recombination dominates the overall lifetime response. Here we hypothesize that the near surface vacancy-associated bulk defects play a role in lowering the electron diffusion current into the a-Si:H(i) from the c-Si(n) reducing the field-effect passivation.

14 SOLAR ENERGY↗

Detailed investigation of electrical and optical properties of textured n-type and roughened p-type tunnel oxide passivated contacts for screen-printed double-side passivated contact silicon solar cell application

Here, this paper presents detailed characterization and analyses of the optical, electrical, and contact properties of a 35 nm phosphorus-doped (n-type) polysilicon (poly-Si) and a 250 nm boron-doped (p-type) poly-Si deposited respectively on textured and roughed surface. These layers could be applied respectively to the front and rear sides of an n-type Si to produce back junction bifacial screen-printed double-side tunnel oxide passivated contacts (DS-TOPCon) solar cells. Optical and device modeling revealed a short circuit current density loss of 1.5 mA/cm 2 and 0.5 mA/cm 2 due to absorption in the front n-TOPCon and rear side p-TOPCon layers, respectively. The passivation and contact properties including metalized and unmetallized recombination current density (J 0 ), as well as contact resistivity, were determined as a function of contact firing temperature in the range of 700~800°C. The passivation quality of the front thin n-TOPCon was found to deteriorate with increased firing temperature while the rear thick p-TOPCon improved. The study showed that the simulated contact firing at 730°C resulted in the best unmetallized double-side TOPCon precursor, with an excellent implied open-circuit voltage of 730 mV and implied fill factor of ~86 %. However, the metalized J0 increased and contact resistivity decreased monotonically with the increase in the firing temperature. The 2D device simulations revealed that these layers can produce screen-printed DS-TOPCon cells with an efficiency of ~22.5 %. Solar cell modeling also showed that the DS-TOPCon solar cell efficiency can reach 24.1 % by decreasing the n-TOPCon thickness to 20 nm and lowering the full area metalized J 0 to ~100 mA/cm 2 .

14 SOLAR ENERGY↗

Large inverse Faraday effect for Rydberg states of free atoms and isolated donors in semiconductors

We report on the induction of magnetization in Rydberg systems by means of the inverse Faraday effect and propose the appearance of the effect in two such systems: Rydberg atoms proper and shallow dopants in semiconductors. Rydberg atoms are characterized by a large orbital radius. This large radius gives such excited states a large angular moment, which when driven with circularly polarized light translates to a large effective magnetic field $\mathscr{B}$ eff . We calculate this effect to generate effective magnetic fields of O⁡(1⁢ µ⁢T)×($\frac{ω}{1THz}$) -1 ⁢ ($\frac{\mathscr{I}}{10Wcm^{-2}}$)⁢n 4 in the Rydberg states of atoms such as Rb and Cs for off-resonant photon beams with frequency ω and intensity $\mathscr{I}$ expressed in units of the denominators and n the principal quantum number. Additionally, terahertz spectroscopy of phosphorus-doped silicon reveals a large cross section for excitation of shallow dopants to Rydberg-like states, which even for small n have the potential to be driven similarly with circularly polarized light to produce an even larger magnetization. Our theoretical calculations estimate $\mathscr{B}$ eff as O⁡(10 2 T) for Si:P with a beam intensity of 10 8 Wcm -2 .

36 MATERIALS SCIENCE↗

Pushing the efficiency limit of low-cost, industrially relevant Si solar cells to > 22.5% by advancing cell structures and technology innovations (Final Report)

The overall objective of this program is to achieve ~23% bifacial n-type cell efficiencies by developing and implementing optimized homogeneous or selective boron (B) emitter on front and tunnel oxide passivated contact (TOPCon) on rear side, in combination with advanced fine-line screen-printing metallization with floating busbars. During this research project, first we developed a technology roadmap to drive the 21% n-PERT cell efficiency from 21% to 23% by transforming the cell design to n-TOPCon and establishing the requirements for each layer, including B emitter, rear n-TOPCon, n-base Si and screen-printed contacts. Next, consistent with our roadmap, we developed advanced homogeneous implanted B emitter (150-180 Ω/⌫) passivated with ALD Al 2 O 3 layer capped with PECVD SiN x /SiO x double-layer antireflection coating This gave a very low recombination current density of 10-15 fA/cm 2 prior to metallization. In addition, we demonstrated metallized recombination current density of ~31 fA/cm 2 for this advanced homogeneous B emitter with industrial screen-printed, fire-through contacts with 40 μm wide grid lines, floating busbars and implementation of an advanced Ag-Al paste which resulted in local or reduced area metal-Si contact under the grid lines with virtually no emitter surface etching. This paste reduced the full area metallized J oe,metal from >1100 fA/cm 2 to ~700 fA/cm 2 . We also developed novel processes for the formation of p + /p ++ selective B emitter by a) single B diffusion with selective etch back and b) two-steps diffusion with implanted B in field region and APCVD B diffusion under the metal grid. We achieved very low un-metallized recombination current density (J 0 ) of ~18 fA/cm 2 for the selective p ++ p + emitters (30/150 Ω/⌫) and metallized J 0 of ~28 fA/cm 2 with ~3% screen-printed metal contact to p ++ regions. Next, we developed the technology for n-TOPCon by growing phosphorus-doped LPCVD and PECVD poly-Si on top of ~ 15Å chemically grown (NAO) tunnel oxide. After an optimized anneal at 875 °C for 30 min, passivated n-TOPCon have unmetallized J 0 of ~ 5 fA/cm 2 which went down further to ~ 1 fA/cm 2 after a 700 Å SiN x capping layer and simulated contact firing cycle at 770 °C. After screen-printed fire-through metallization on this n-TOPCon with ~13% metal coverage, metallized J 0 value increased to only ~5 fA/cm 2 which is among the lowest reported value to the best of our knowledge for screen-printed metallization. Finally, we integrated all the above technology innovations and enhancements and demonstrated low-cost manufacturable screen-printed n-TOPCon bifacial Si solar cell with ~23% efficiencies. Based on the experimental and theoretical understanding developed in this project, we have developed a new technology roadmap that shows that implementation of busbarless contacts, 10-20 ms bulk lifetime Si, and selective B emitter or selective TOPCon on the front can drive ~23% efficient cells achieved in this research to ~25% at low-cost.

14 SOLAR ENERGY↗

Poly-Si Passivating Contacts Hydrogenation by Microwave Annealing

Hydrogenation is a crucial step in the fabrication of high-efficiency silicon solar cells. In this study, we demonstrate the for the first time effectiveness of hydrogen activation via microwave annealing of hydrogen-rich dielectrics coated on poly-Si passivating contacts. This method is compared with conventional hydrogenation techniques, such as annealing in N2 in the presence of a hydrogen-rich source (such as hydrogenated aluminum oxide (AlOx:H), hydrogenated silicon nitride (SiNy:H), or a AlOx:H/SiNy:H stack). Key improvements observed include a reduction in J0 from 30 to <5 fA/cm2, an increase in iVoc from 690 to >730 mV, and an enhancement in effective lifetime (teff) from 0.6 to ~3.5 milliseconds on phosphorus-doped poly-Si/SiO2 passivating contact samples. With a very short annealing time of ~1-2 minutes, the samples passivated by AlOx:H, SiNy:H, or the stack show similar performance to samples subjected to 30 minutes of nitrogen annealing. Photoluminescence (PL) spectra corroborate our findings regarding the hydrogenation of the poly-Si layer and the c-Si substrate, with an increase in PL intensity after microwave annealing. Ultimately, our work suggests that microwave annealing could be a promising addition, offering flexibility to traditional firing hydrogenation processes.

14 SOLAR ENERGY↗

Investigation of Contact Properties and Device Performance for Bifacial Double-Side Textured Silicon Solar Cells With Polysilicon Based Passivating Contacts

We investigate the impact of the surface morphology on the contact properties of phosphorus doped poly-Si layers. If the poly-Si layer on a textured surface remains intact after high-temperature metallization using a fire-through (FT) silver (Ag) paste, the J0,metal is not expected to increase significantly while the specific contact resistivity can improve with a textured surface. The contact properties of the FT Ag contacts to n+ poly-Si deposited on both textured and planar surfaces are investigated by measuring and evaluating ρc and J0,metal. The reasons for differences in contact resistance and recombination are further investigated with SEM imaging. Solar cells with n-type polysilicon based passivating contacts on the rear side are fabricated and characterized. The scientific approach used, and the insights presented in this work, help to understand the mechanisms and behavior of screen-printed and fired-through contacts to polysilicon layers deposited onto textured silicon surfaces.

Padhamnath, Pradeep (ORCID:0000000202510624)↗

Methods for making high-temperature thermocouples

Methods of manufacturing thermocouples having a first thermoelement wire comprises a molybdenum-lanthanum based material and a second thermoelement wire comprises a phosphorus-doped niobium, may involve exposing a first thermoelement wire and a second thermoelement wire to a temperature in a range extending from about 50° C. to about 60° C. above an intended operational temperature of the first and second thermoelement wires and until a rate of change of a normalized voltage output of the first thermoelement wire and the second thermoelement wire is about 0.001 normalized Volts per hour or less.

Skifton, Richard S.↗

Influence of Joule Heating on the Stability of High Temperature Irradiation Resistant Thermocouples

Development of in-core instrumentation is driven by the pursuit of safer and more economic energy production from both existing nuclear reactors and Generation IV reactor designs. Idaho National Laboratory (INL) has developed high temperature irradiation resistant thermocouples (HTIR-TCs) for temperature sensing inside Generation IV nuclear reactors. These thermocouples are composed of phosphorus-doped niobium (Nb-P) and lanthana-doped molybdenum (Mo-LaO) thermoelements, an alumina (Al2O3) insulation, and a niobium sheath. HTIR-TCs require an initial heat treatment exceeding the maximum service temperature to stabilize the generated electromotive force (EMF) signal; however, the mechanism behind this stabilization is not well understood. This work evaluates the impact of Joule heating on the thermoelements' microstructures, chemical stability, and mechanical properties to determine the mechanisms by which the EMF signal stabilization occurs. Accordingly, during the Joule heat treatment, a secondary Nb3P phase coarsened along the length of the Nb-P thermoelement, along with the formation of an interaction region at the Al2O3/niobium interface. The interaction between the alumina insulation and the Nb-P thermoelement was also observed within the Mo-LaO thermoelement. Joule heating induced stability within the generated EMF signal of HTIR-TCs through the formation of secondary phases within the Nb-P and the interaction of the alumina insulation with the thermoelements.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Influence of Joule Heating on the Stability of High Temperature Irradiation-resistant Thermocouples

Development of in-core instrumentation is driven by the pursuit of safer, more economic energy production from the perspective of both existing nuclear reactors and Generation IV reactor designs. Idaho National Laboratory has developed high-temperature irradiation-resistant thermocouples (HTIR-TCs) for temperature sensing inside Generation IV nuclear reactors. These thermocouples are composed of phosphorus-doped niobium (Nb-P) and lanthana-doped molybdenum (Mo-LaO) thermoelements, an alumina (Al2O3) insulation, and a niobium sheath. HTIR-TCs require an initial heat treatment exceeding the maximum service temperature to stabilize the generated electromotive force (EMF) signal. The mechanism behind the stabilization of the HTIR-TCs through traditional heat treatment methods is understood; however, the traditional heat treatment method is expensive, time consuming, and results in a heterogeneous microstructure. Therefore, we investigated a rapid method for stabilization and microstructure homogeneity, through Joule heating. This work evaluates the impact of Joule heating on the thermoelements’ microstructures, chemical stability, and mechanical properties so as to determine the mechanisms by which stabilization of the EMF signal occurs. Accordingly, during the Joule heat treatment, a secondary Nb3P phase coarsened along the length of the Nb-P thermoelement, along with the formation of an interaction region at the Al2O3/niobium interface. The interaction between the alumina insulation and the Nb-P thermoelement was also observed within the Mo-LaO thermoelement. Joule heating induced stability within the generated HTIR-TC EMF signal via the formation of secondary phases within the Nb-P and the interaction between the alumina insulation and the thermoelements.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Doping Limits of Phosphorus, Arsenic, and Antimony in CdTe

Low p-type doping is a limiting factor to increase CdTe thin-film solar-cell efficiency toward the theoretical Shockley-Queisser limit of 33%. Previous calculations predict relatively high ionization energies for group-V acceptors (P, As, and Sb) and they are plagued by self-compensation, forming AX-centers, severely limiting hole concentration. However, recent experiments on CdTe single crystals indicate a much more favorable scenario, where P, As, and Sb behave as shallow acceptors. Using hybrid functional calculations, we solve this puzzle by showing that the ionization energies significantly decrease with the supercell size. When including the effects of spin-orbit coupling and extrapolating the results to the dilute limit, we find these impurities behave as hydrogenic-like shallow acceptors, and AX-centers are unstable and do not limit ptype doping. We address the differences between our results and previous theoretical predictions and show that our ionization energies predict hole concentrations that agree with recent temperature-dependent Hall measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mechanisms and stability of Li dynamics in amorphous Li-Ti-P-S-based mixed ionic–electronic conductors: A machine learning molecular dynamics study

Mixed ionic–electronic conductors (MIECs) exhibit both high ionic and electronic conductivity to improve the battery performance. In this work, we investigate the mechanism and stability of transport channels in our recently developed MIEC material, amorphous Ti-doped lithium phosphorus sulfide (LPS), using molecular dynamics (MD) simulations with a 99% accurate machine-learning force field (MLFF) trained on ab initio MD data. The achieved MLFF helps efficient large-scale MD simulations on LPS with three Ti concentrations (10%, 20%, and 30%) and six temperatures (25°C to 225°C) to calculate ionic conductivity, activation energy, Li-ion transport mechanism, and configurational entropy. Results show that ionic conductivities and activation energies are consistent with our recent experimental values. Moreover, Li-ion transport occurs via free-volume diffusion facilitated by the formation of disordered Li-S polyhedra. The enhanced stability of transport channels at 10% and 20% Ti doping, compared to 0% and 30%, is observed by analyzing the vibrational and configurational entropy of these disordered Li-S polyhedra. Overall, this study highlights the utility of MLFF-based large-scale MD simulations in explaining the transport mechanism and the stability of Li-ion in Ti-doped LPS electrolyte with significant computational efficiency.

And configuration entropy↗

Heteroatom-Doped Flash Graphene

Heteroatom doping can effectively tailor the local structures and electronic states of intrinsic two-dimensional materials, and endow them with modified optical, electrical, and mechanical properties. Recent studies have shown the feasibility of preparing doped graphene from graphene oxide and its derivatives via some post-treatments, including solid-state and solvothermal methods, but they require reactive and harsh reagents. However, direct synthesis of various heteroatom-doped graphene in larger quantities and high purity through bottom-up methods remains challenging. Here, we report catalyst-free and solvent-free direct synthesis of graphene doped with various heteroatoms in bulk via flash Joule heating (FJH). Seven types of heteroatom-doped flash graphene (FG) are synthesized through millisecond flashing, including single-element-doped FG (boron, nitrogen, oxygen, phosphorus, sulfur), two-element-co-doped FG (boron and nitrogen), as well as three-element-co-doped FG (boron, nitrogen, and sulfur). Here, a variety of low-cost dopants, such as elements, oxides, and organic compounds are used. The graphene quality of heteroatom-doped FG is high, and similar to intrinsic FG, the material exhibits turbostraticity, increased interlayer spacing, and superior dispersibility. Electrochemical oxygen reduction reaction of different heteroatom-doped FG is tested, and sulfur-doped FG shows the best performance. Lithium metal battery tests demonstrate that nitrogen-doped FG exhibits a smaller nucleation overpotential compared to Cu or undoped FG. The electrical energy cost for the synthesis of heteroatom-doped FG synthesis is only 1.2 to 10.7 kJ g –1 , which could render the FJH method suitable for low-cost mass production of heteroatom-doped graphene.

01 COAL, LIGNITE, AND PEAT↗

Phosphorus diffusion and deactivation during SiGe oxidation

Dopant profiles near the semiconductor–oxide interface are critical for microelectronic device performance. As the incorporation of Si 1−x Ge x into transistors continues to increase, it is necessary to understand the behavior of dopants in Si 1−x Ge x . In this paper, the diffusion and electrical activation of phosphorus within a strained, single-crystal Si 0.7 Ge 0.3 layer on Si during oxidation are reported. Both layers were uniformly doped, in situ, with an average phosphorus concentration of 4 × 10 19 atoms/cm 3 . After high-temperature oxidation, secondary ion mass spectrometry measurements revealed that the bulk of the phosphorus diffuses out of only the SiGe layer and segregates at the oxidizing SiGe–SiO 2 interface. Hall effect measurements corroborate the observed phosphorus loss and show that the phosphorus diffusing to the oxidizing interface is electrically inactive. Through density functional theory (DFT) calculations, it is shown that phosphorus interstitials prefer sites near the SiGe–SiO 2 interface. Finally, based on a combination of experimental data and DFT calculations, we propose that the phosphorus atoms are displaced from their lattice sites by Ge interstitials that are generated during SiGe oxidation. The phosphorus atoms then migrate toward the SiGe–SiO 2 interface through a novel mechanism of hopping between Ge sites as P–Ge split interstitials. Once they reach the interface, they are electrically inactive, potentially in the form of interstitial clusters or as part of the reconstructed interface or oxide.

Thornton, Chappel S.↗

Accelerated reliability tests of n + and p + poly-Si passivated contacts

We report on the stability of encapsulated, low-pressure chemical vapor-deposited phosphorus (n + poly-Si) doped and boron (p + poly-Si) doped poly-Si/SiO x passivated contacts by exposing the samples to three different accelerated tests: damp heat test, thermal cycling and ultraviolet exposure, adhering closely to the IEC 61215 standard. Outdoor testing was also performed by exposing the samples in the outdoor testing field at the National Renewable Energy Laboratory, and preliminary data accumulated for 1000 h from February to April of 2021 is reported. We studied non-metallized, thermally-metallized, and screen-printed n + and p + poly-Si by monitoring the effective minority carrier lifetime at the implied maximum power point using a Sinton lifetime tester, and recorded photoluminescence images before and after the exposure. Furthermore, the samples were found to be stable under all test conditions, which is encouraging for incorporation of these contacts in next-generation industrial silicon solar cells.

14 SOLAR ENERGY↗

A portable fiber optic sensor for the luminescent sensing of cobalt ions using carbon dots

Cobalt is critical to energy-relevant technologies, and demand for cobalt will increase significantly with growing global adoption of renewables. However, supply chain stability is threatened by economic and geopolitical factors, incentivizing domestic cobalt production from alternative resources such as coal, coal utilization byproducts (e.g., ash, acid mine drainage) and electronic waste. Rapid, inexpensive, and portable characterization techniques are needed to reduce production costs associated with cobalt prospecting and process monitoring. Here, in this research, we develop a compact, portable fiber optic luminescent probe for cobalt using phosphorus and nitrogen co-doped carbon dots as the sensing material. The carbon dot emission overlaps well with the cobalt absorption band at ~510 nm, leading to a selective decrease in emission as a function of cobalt concentration. The system responds nearly instantly to the presence of cobalt, with detection limits of 0.7 and 3.5 ppm in water and pH 1.68 buffer, respectively, providing comparable performance to a commercial spectrometer at a significantly lower cost. Moreover, the sensor is selective for cobalt in the presence of 13 of the most common metal ions encountered in coal utilization byproducts and is responsive to cobalt when spiked into an acid mine drainage leachate sample, highlighting the sensor's potential for real-world deployment in challenging matrices. In addition, integrating the carbon dots with a filter paper substrate produced ‘test strip’ sensors that exhibited a selective and sensitive visual response to cobalt using a handheld UV lamp. Taken together, the sensing system represents a significant step forward in the development of low-cost practical sensors for high-value metals in complex streams.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Suppression of Midinfrared Plasma Resonance Due to Quantum Confinement in δ-Doped Silicon

The classical Drude model provides an accurate description of the plasma resonance of three-dimensional materials, but only partially explains two-dimensional systems where quantum mechanical effects dominate such as P:δ layers—atomically thin sheets of phosphorus dopants in silicon that induce electronic properties beyond traditional doping. Previously it was shown that P:δ layers produce a distinct Drude tail feature in ellipsometry measurements. However, the ellipsometric spectra could not be properly fit by modeling the δ layer as a discrete layer of classical Drude metal. In particular, even for large broadening corresponding to extremely short relaxation times, a plasma resonance feature was anticipated but not evident in the experimental data. In this work, we develop a physically accurate description of this system, which reveals a general approach to designing thin films with intentionally suppressed plasma resonances. Our model takes into account the strong charge-density confinement and resulting quantum mechanical description of a P:δ layer. Here, we show that the absence of a plasma resonance feature results from a combination of two factors: (i) the sharply varying charge-density profile due to strong confinement in the direction of growth; and (ii) the effective mass and relaxation time anisotropy due to valley degeneracy. The plasma resonance reappears when the atoms composing the δ layer are allowed to diffuse out from the plane of the layer, destroying its well-confined two-dimensional character that is critical to its distinctive electronic properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗