Radiative Transition Rates Research Articles

Boosting Photoluminescence of Rare-Earth-Based Double Perovskites by Isoelectronic Doping of ns2 Metal Ions.

Doping of ns2 metal ions as an energy transfer (ET) bridge can significantly elevate the photoluminescence properties. Nonetheless, the fundamental influence of ns2 metal ions on the local lattice structures remains unclear, hindering the advancement of functional materials. Herein, Sb3+ doped rare earth double perovskites is employed as a typical case to demonstrate this issue. It is found that the isoelectronic doping of Sb3+ ions not only enhances the ET efficiency but also changes their localized electronic and lattice structures. Both density functional theory (DFT) and Judd-Ofelt (J-O) theory calculations provide unambiguous evidence that the isoelectronic doping of Sb3+ ions enables a more localized charge density in the [LnCl6]3- (Ln: Lanthanide) octahedron and reduces the symmetry of the environment around the Ln3+, facilitating the radiative transition rates of Ln3+ while enhancing their ET efficiency. Compared with Cs2NaScCl6:Ln3+, the ET efficiency of Cs2NaScCl6:Sb3+/Ln3+ is enhanced by 1.5-fold, reaching up to 98.3%. To the best of available knowledge, this work is the first to unravel the intrinsic mechanism of enhanced ET process enabled by isoelectronic doping via DFT and J-O theory. This research sheds light on understanding the mechanism of photophysics and rational design of the functional perovskite materials.

Thermally Activated Delayed Fluorescence Sensitizer with Through‐Space Charge Transfer Manipulated by Atom Distribution for Solution‐Processed Deep‐Blue Multi‐Resonance OLEDs

AbstractOrganic light‐emitting diodes (OLEDs) employing multi‐resonance (MR) emitters have attracted much attention due to their high luminescent efficiency and color purity, however, the development of deep‐blue multi‐resonance OLEDs is hindered by the lack of suitable sensitizers. Here a novel design strategy is reported for thermally activated delayed fluorescence sensitizer with high reverse intersystem crossing (kRISC) and radiative transition (kR) rate by regulating atom distribution of a spatially‐aligned carbazole donor/diphenylpyrimidine acceptor structure to manipulate through‐space charge transfer (CT) process. It is found that diphenylpyrimidine acceptor with 1,3‐position nitrogen atoms is un‐conjugated to bridging phenyl moiety by the conjugation node of pyrimidine, while the acceptor with 1,5‐position nitrogen atoms is conjugated to bridging phenyl through conjugation site, opening through‐bond CT pathway via bridging phenyl besides through‐space CT from spatial donor‐acceptor interactions. As a result, the sensitizer with 1,5‐position nitrogen atoms exhibits enhanced oscillator strength by 3.5 folds and accelerated kR of 3.57 × 107 s−1, while keeping high kRISC of 4.03 × 106 s−1 and high singlet (S1) state (2.88 eV). Solution‐processed OLEDs using the sensitizer and deep‐blue multi‐resonance emitter exhibit efficient narrowband electroluminescence with CIE coordinates of (0.14, 0.13) and EQEmax of 15.6%, representing the state‐of‐the‐art device performance for deep‐blue multi‐resonance OLEDs by solution process.

Tuned quantum cutting efficiency by Li+/Na+ molar content in LixNa1-xGd(MoO4)2:Er3+/Yb3+ phosphors

Quantum cutting materials have garnered significant interest due to their potential applications in enhancing photoelectric conversion efficiency in devices such as solar cells. The host matrices that accommodate rare earth ions play a pivotal role in determining the optical transition properties, which are crucial for quantum cutting. In this study, both Er3+ single-doped and Er3+/Yb3+ co-doped LixNa1-xGd(MoO4)2 (x = 0, 0.01, 0.1, 0.3, 0.5, 0.7, 0.9, 0.99 and 1.0) were synthesized via a high-temperature solid-state reaction to tune the optical transitions properties and enhance quantum cutting efficiency. Optical transition intensity parameters (Judd-Ofelt parameters) of Er3+ were calculated and shown to vary significantly with the Li+/Na+ molar content, demonstrating that these optical properties can be effectively tuned by adjusting the sample composition. The reliability of these calculations was confirmed by comparing the radiative transition rate ratios between two green emissions of Er3 obtained through both theoretical and experimental methods. A two-step energy transfer mechanism was identified as the basis for quantum cutting process, and the relevant energy transfer and nonradiative relaxation rates were determined. Notably, the quantum cutting efficiency reached a peak value of 155.65 % in Li0.5Na0.5Gd(MoO4)2 sample, indicating that successful tuning of the sample's optical transition properties effectively enhanced its quantum cutting efficiency. These findings underscore the viability of tuning the optical properties of rare earth-doped materials to design highly efficient quantum cutting materials.

Near-infrared quantum-cutting emission in Ho3+/Yb3+ co-doped NaY(WO4)2 phosphors

Enhancing the efficiency of photoelectric conversion is a vital consideration for silicon-based solar cells via introducing near-infrared emitting material. In this study, efficient Yb3+ near infrared emissions through quantum cutting was achieved by adjusting the concentrations of Ho3+ and Yb3+. The quantum cutting mechanism was detailedly investigated and a two-step energy transfer processes from Ho3+ to Yb3+ were assigned to be responsible for the near infrared emission of Yb3+. The radiative and nonradiative transition rates of all concerned 4f levels of Ho3+ in NaY(WO4)2 (abbreviations as NYW) matrix were derived based on the Judd-Ofelt theory and the energy gap law. The energy transfer rates from Ho3+ to Yb3+ were also obtained by analyzing the fluorescence dynamics. Furthermore, the quantum cutting efficiencies were determined to be 60.46 %. It was revealed that the low quantum-cutting efficiencies resulted from the nonradiative transitions of Ho3+ and the self-quenching of Yb3+ at higher doping concentration of Yb3+.

Linearly Arranged Multi‐π‐Stacked Structure for Efficient Through‐Space Charge‐Transfer Emitters

AbstractNoncovalent spatial interaction has become an intriguing and important tool for constructing optoelectronic molecules. In this study, we linearly attached three conjugated units in a multi π‐stacked manner by using just one trident bridge based on indeno[2,1‐b]fluorene. To achieve this structure, we improved the synthetic approach through double C−H activation, significantly simplifying the preparation process. Due to the proximity of the C10, C11, and C12 sites in indeno[2,1‐b]fluorene, we derived two novel donor|acceptor|donor (D|A|D) type molecules, 2DMB and 2DMFB, which exhibited closely packed intramolecular stacking, enabling efficient through‐space charge transfer. This molecular construction is particularly suitable for developing high‐performance thermally activated delayed fluorescence materials. With donor(s) and acceptor(s) constrained and separated within this spatially rigid structure, elevated radiative transition rates, and high photoluminescence quantum yields were achieved. Organic light‐emitting diodes incorporating 2DMB and 2DMFB demonstrated superior efficiency, achieving maximum external quantum efficiencies of 28.6 % and 16.2 %, respectively.

Linearly Arranged Multi-π-Stacked Structure for Efficient Through-Space Charge-Transfer Emitters.

Noncovalent spatial interaction has become an intriguing and important tool for constructing optoelectronic molecules. In this study, we linearly attached three conjugated units in a multi π-stacked manner by using just one trident bridge based on indeno[2,1-b]fluorene. To achieve this structure, we improved the synthetic approach through double C-H activation, significantly simplifying the preparation process. Due to the proximity of the C10, C11, and C12 sites in indeno[2,1-b]fluorene, we derived two novel donor|acceptor|donor (D|A|D) type molecules, 2DMB and 2DMFB, which exhibited closely packed intramolecular stacking, enabling efficient through-space charge transfer. This molecular construction is particularly suitable for developing high-performance thermally activated delayed fluorescence materials. With donor(s) and acceptor(s) constrained and separated within this spatially rigid structure, elevated radiative transition rates, and high photoluminescence quantum yields were achieved. Organic light-emitting diodes incorporating 2DMB and 2DMFB demonstrated superior efficiency, achieving maximum external quantum efficiencies of 28.6 % and 16.2 %, respectively.

M1 radiative and spin-nonflip ππ transitions of Bc states in the Cornell potential model

In this paper, we mainly predict the rates of M1 radiative and spin-nonflip ππ transitions of the Bc-meson under the nonrelativistic Cornell potential model with a screening potential effect. We employ the numerical wave function to determine the M1 radiative transition widths of Bc excited states and utilize the Kuang-Yan proposed method for the spin-nonflip ππ transitions among Bc states. Our theoretical results are valuable for studying the M1 radiative and spin-nonflip ππ transition processes of Bc states in experiments. Published by the American Physical Society 2024

Temperature-dependent law of transition probability associated with main emission states in YVO4:Re3+ (Re3+=Sm3+, Dy3+ and Eu3+)

The understanding of how radiative transition probabilities change with temperature is crucial for comprehending the relationship between fluorescence behavior and temperature. However, although various models have been proposed to explain the patterns of transition probabilities (A) with temperature changes, they lack consistency due to their derivation from distinct microscopic perspectives. In this study, the macroscopic law of the temperature-dependent A for the 4G5/2, 4F9/2, and 5D0 energy states in YVO4:Re3+(Re3+=Sm3+, Dy3+ and Eu3+) was obtained. Three rare earth ions (Re3+) were identified for each with unique energy level properties conducive to validating the general rules of A. These ions share a common characteristic: in the visible spectrum, their main emissions originate from the radiative transitions from the same higher energy level (4G5/2 in Sm3+, 4F9/2 in Dy3+, and 5D0 in Eu3+) to lower energy levels, respectively. The A of the main emission levels, varying with T, were obtained by fitting the fluorescence decay curves. The exponential law governing non-radiative transitions was revealed after separating the radiative transition rate (WR) from A. The macroscopic law of temperature-dependent transition probabilities of 4G5/2, 4F9/2, and 5D0 energy states in YVO4:Ln3+ (Ln3+ = Sm3+, Dy3+ and Eu3+) has been found to follow the Boltzmann distribution. The results indicate that the non-radiative transitions of the main emission levels of the rare-earth ions are processes from the excited state to adjacent lower energy levels. This macroscopic pattern may serve as a foundational rule for understanding the impact of microscopic factors on A.

Symmetry Molecular Design Strategy for Highly Efficient Blue Electroluminescence with Hot Exciton Mechanisms

AbstractEmitters with a hot exciton mechanism are regarded as one of the most promising candidates for organic light‐emitting diodes (OLEDs). In this study, a deep‐blue emitter with the hot exciton mechanism is reported, namely 2An‐PCz, by integrating a pair of carbazole groups with a 9,9′‐bi‐anthracene nucleus. Owing to the symmetric molecular architecture and intrinsic local excited state character, multiple high‐lying reverse intersystem cross (hRISC) channels and large overlaps of frontier molecular orbits (FMOs) can be formed, facilitating rapid hRISC processes as well as enhancement of radiative transition rates simultaneously. Combined with the strong luminescence properties brought by the unique X‐packing mode, a high photoluminescence quantum yield of 60.5% is achieved in the non‐doped state. Strikingly, non‐doped deep‐blue OLEDs exhibited a maximum external quantum efficiency (EQE) of 10.50% with minimal efficient roll‐off, which is one of the highest values for deep‐blue organic light‐emitting devices based on hot exciton emitters thus far. The magneto‐electroluminescence (MEL) experiment and transient electroluminescence measurements corroborated that both the high EQE and suppressed efficiency roll‐off are attributable to the rapid “hot exciton” channels.

Continuous tuning of optical transition properties and phonon spectrum in Er3+ doped germano-tellurite glass system

With the development of science and the progress of technology, novel and advanced rare earth ions doped luminescent materials with higher performance are demanded in the both emerging and traditional applications. Understanding the rules for tuning the spectroscopic properties of these materials is crucial for their development. However, achieving precise control over the optical properties of rare earth doped materials using traditional design and synthesis methods, such as altering dopants and their concentrations or modifying the preparative conditions, still remains challenging. This work aims to adjust the optical transition characteristics of Er3+ doped germano-tellurite glasses by changing the glass components. First, the Er3+ doped germano-tellurite glass series were synthesized using a high-temperature melt-quenching method at optimized melting temperatures. The tuning of band gap energy and refractive index of the glasses were revealed, and it was found that both of them can be monotonically and continuously tuned by changing the glass composition. The optical transition intensity parameters of Er3+ in the glasses were calculated in the framework of traditional three-parameterized Judd-Ofelt theory using the absorption spectra, and furthermore the corresponding optical transition parameters including radiative transition rates and intrinsic lifetimes for some interested levels were alsoconfirmed. The results demonstrated that the optical transition parameters could be efficiently modulated by changing the glass composition, indicating that the spectral properties of Er3+ doped germano-tellurite glasses can be tuned for the practical applications. The reliability of the deduced tuning rule was validated by comparing the theoretical and experimental transition rate ratios of 2H11/2 → 4I15/2 to 4S3/2 → 4I15/2. Furthermore, the tuning regulation of the phonon spectra in relation to the glass composition was discovered, showing a concordance between theoretical predictions and experimental results. From the above facts, it can be concluded that the optical transition properties of Er3+ in germano-tellurite glasses can be substantially adjusted by modifying the glass composition. This work provides a new perspective for designing and developing novel luminescent materials to meet specific application needs.

Theoretical insights on highly efficient X-shaped near-infrared thermal activation delayed fluorescence emitter

The near-infrared (NIR) thermally activated delayed fluorescence (TADF) molecules hold practical application value in various fields, including biological imaging, anti-counterfeiting, sensors, telemedicine, photomicrography, and night vision display. These molecules have emerged as a significant development direction in organic electroluminescent devices, offering exciting possibilities for future technological advancements. Despite the remarkable potential of NIR-TADF molecules in various applications, the development of molecules that exhibit both long-wavelength emission and high efficiency remains a significant challenge. Herein, based on T-type and Y-type TADF molecules BCN-TPA and ECN-TPA, a novel X-type TADF molecule X-ECN-TPA is theoretically designed through a molecular fusion strategy. Utilizing first-principles calculations and the thermal vibration correlation function (TVCF) method, the photophysical properties and luminescent mechanisms of these three molecules in both solvent and solid (doped films) are revealed. A comparison of the luminescent properties of isomeric BCN-TPA and ECN-TPA shows that the enhanced luminescence efficiency of BCN-TPA in the solid states is attributed to higher radiative rates and lower non-radiative rates. Furthermore, compared to BCN-TPA and ECN-TPA, X-ECN-TPA exhibits significant conjugation extension, resulting in a pronounced redshift, reaching 831 nm and 813 nm in solvent and solid states, respectively. Importantly, molecular fusion significantly increases the transition dipole moment density between the donor and acceptor, leading to a substantial increase in radiative transition rates. Additionally, molecular fusion effectively reduces the energy gap between the first singlet excited state (S1) and the first triplet excited state (T1), facilitating the improvement of the reverse intersystem crossing (RISC) process. In addition, the calculation of Marcus formula shows that the triplet energy transfer from CBP to BCN-TPA, ECN-TPA and X-ECN-TPA is very effective. This work not only designs a novel efficient NIR-TADF molecule but also proposes a strategy for designing efficient NIR-TADF molecules. This principle offers unique insights for optimizing traditional molecular frameworks, opening up new possibilities for future advancements.

Temperature-Induced Luminescence Intensity Fluctuation of Protein-Protected Copper Nanoclusters: Role of Scaffold Conformation vs Nonradiative Transition.

Protein-scaffolded atomically precise metal nanoclusters (NCs) have emerged as a promising class of biofriendly nanoprobes at the forefront of modern research, particularly in the area of sensing. The photoluminescence (PL) intensity of several nanoclusters showed a systematic temperature-dependent fluctuation, but the mechanism remains ambiguous and is poorly understood. We tried to shed some light on this mechanistic aspect by testing a couple of hypotheses: (i) conformational fluctuation of the protein scaffold-mediated PL intensity fluctuation and (ii) PL intensity fluctuation due to the variation in the radiative and nonradiative transition rates. Herein, the PL intensity of the lysozyme-capped copper nanocluster (Lys-Cu NC) showed excellent temperature dependency; upon increasing the temperature, the PL intensity gradually decreased. However, contrasting effects can be seen when the nanocluster is exposed to a chemical denaturant (guanidine hydrochloride (GdnHCl)); the PL intensity increased with the increase in the GdnHCl concentration due to the change in the ionic strength of the medium. This discrepancy clearly suggests that the thermal PL intensity fluctuation cannot be explained by a change in the scaffold conformation. Furthermore, upon closer investigation, we observed a 2-fold increase in the nonradiative decay rate of the Lys-Cu NC at the elevated temperature, which could reasonably explain the decrease in the PL intensity of the nanocluster at the higher temperature. Additionally, from the result, it was evident that the protein scaffold-metal core interaction played a key role here in stabilizing each other; hence, the scaffold structure remained unaffected even in the presence of chemical denaturants.

Large-scale relativistic calculations of spectral data in Zr XXVIII, Nb XXIX and Tc XXXI of tokamak interest

Large-scale relativistic multiconfiguration Dirac–Fock calculations of energy levels and lifetimes of the 206 states arising from the 3s23p, 3p3, 3s3p3d, 3p3d2, 3s24p, 3s24f, 3s3p2, 3s23d, 3s3d2, 3s24d, 3s24s, 3s3p4s, 3s3p4d, 3p23d, 3d3, and 3s3p4p configurations of Zr XXVIII, Nb XXIX, and Tc XXXI of tokamak interest are carried out. The active space approximation is employed for the calculations. To obtain accurate and convergent results, the calculations take into account the valence and core-valence correlations within the n= 9 complex, as well as the Breit interaction, self-energy corrections, and vacuum polarization corrections. Detailed information regarding the decay properties of these ions is provided, including the transition wavelengths, line strengths, and radiative transition rates for various types (electric dipole, electric quadrupole, magnetic dipole, and magnetic quadrupole transitions) of transitions among the levels of the aforementioned configurations. The uncertainties of each dipole transition are evaluated. The present data sets are compared to previous results and a good agreement is observed, which is valuable for emission line identification and fusion modeling, especially in situations where experimental data are scarce.

Optical transition properties, 1550-to-980 nm upconversion, and temperature sensing of NaEr(WO4)2:Yb3+ phosphors synthesized via the microwave-assisted hydrothermal method

Improving photoelectric conversion efficiency and enhancing heat management are two critical considerations for silicon-based solar cells. In this study, efficient Yb3+ infrared emissions through the upconversion process were achieved by adjusting the concentrations of Yb3+ in Er3+ highly condensed NaEr(WO4)2 phosphor. Additionally, the temperature sensing based on the fluorescence intensity ratio (FIR) was also studied in this tungstate system. Moreover, the radiative transition rates for all relevant transitions of Er3+ in NaEr(WO4)2:Yb3+ phosphors were calculated in the framework of Judd-Ofelt theory, and the optical transition properties of Yb3+ were also revealed by taking Er3+ as a reference. It was found that the radiative transition rate of Yb3+:2F5/2→2F7/2 (2977.52s−1) is significantly higher than that of Er3+:4I11/2→4I15/2 (303.50s−1), thus suggesting the feasibility for the strong emission at 980 nm of Yb3+ in assistance of the energy transfer 4I11/2+2F7/2→4I15/2+2F5/2. Finally, strong and nearly pure NIR emissions of Yb3+ were experimentally observed under 1550 nm excitation, and possible upconversion mechanisms were proposed. The temperature sensing performance of the studied materials was also assessed. All the results imply that NaEr(WO4)2:Yb3+ constitutes an excellent material for enhancing both the photoelectric conversion efficiency and thermal management of silicon-based solar cells.

Luminescence enhancement of Y2O3 thin films based on LSPR effect of Ag nanolayers

Based on the local surface plasmon resonance effect of Ag nanolayer, the luminescence enhancement in the visible light range of multilayer thin film has been investigated combined with metal/spacer molecule/photoluminescence material structure. The luminescence enhancement effect of multilayer thin films can be improved by adjusting the spin-coating number of Ag nanolayer and SiO2 spacer in the multilayer structure. At the same time, the mechanism of enhanced luminescence has been analyzed according to the change in fluorescence lifetime. The effect of the coupling between Ag nanolayer and luminescence layer on the radiative transition rate and fluorescence quantum yield have been discussed. The up-conversion luminescence intensity of the noble metal-modified multilayer thin film can be further improved by combining the multilayer structure with sensitized layer.

Achieving Nearly 100% Photoluminescence Quantum Efficiency in Organic Radical Emitters by Fine‐Tuning the Effective Donor‐Acceptor Distance

AbstractDonor‐acceptor (D–A•) type luminescent organic radicals have received widespread attention as efficient doublet emitters. However, their generally low photoluminescence quantum efficiency (PLQE) and limited photostability restrict their various applications. Since unraveling the relationship between structure and properties of D–A• type luminescent radicals remains a challenge, here, a series of tri(2,4,6‐trichlorophenyl)methyl (TTM) radical derivatives, which differ by the location of their ring fusion sites and nature of their heteroatoms, is synthesized. The PLQE of isomers varies by ten times as a function of ring fusion sites. In particular, the PLQE of a radical undergoing ring fusion at the carbazole 3,4‐position is as high as 98.0%. Quantum‐chemical calculations show that in the case of overlapping holes and electrons, by increasing the effective distance between the D and A moieties, the radiative transition rates of the radicals increase. Also, decreasing the electronic coupling between the charge‐transfer and local‐excited states and avoiding large geometrical distortions between the ground state (D0)_and the first excited state (D1) can significantly reduce the nonradiative transition rates. This work offers a design strategy to obtain efficient and stable luminescent radicals by modifying the sites of ring fusion, which allows control of the radiative and nonradiative transition rates.

BN‐Isosteres of Nonacene with Antiaromatic B2C4 and N2C4 Heterocycles: Synthesis and Strong Luminescence**

AbstractEmbedding both boron and nitrogen into the backbone of acenes to generate their isoelectronic structures has significantly enriched the acene chemistry to offer appealing properties. However, only small BN‐heteroacenes have been extensively investigated, with BN‐heptacenes as the hitherto longest homologue. Herein, we report the synthesis of three new nonacene BN‐isosteres via incorporating a pair of antiaromatic B2C4 and N2C4 heterocycles, representing a new length record for BN‐heteroacenes. The distance between the B2C4 and N2C4 rings affects the contribution of the charge‐separated resonance forms, leading to tunable antiaromaticity of the two heterocycles. The adjusted local antiaromaticity manifests substantial influence on the molecular orbital arrangement, and consequently, the radiative transition rate of BN‐3 is greatly enhanced compared with BN‐1 and BN‐2, realizing a high fluorescence quantum yield of 92 %. This work provides a novel design concept of large acene BN‐isosteres and reveals the importance of BN/CC isosterism on their luminescent properties.

Determination of the radiative transition rates in Ta VII using a multiplatform approach

Tantalum (Z=73) is an element that is produced in the neutron-induced transmutation of tungsten (Z=74) which in turn will compose the divertors in Tokamaks. As a consequence, their sputtering may generate ionic impurities of all possible charge states in the deuterium-tritium plasma that could contribute to radiation losses in controlled nuclear devices. The radiative properties of these ions have therefore potential important applications in this field. In this context, a multiplatform approach has been adopted in order to compute the Ta VII radiative rates and estimate their accuracy. The oscillator strengths and transition probabilities have been calculated for the 237 electric dipole (E1) transitions of the Ta VII spectrum as classified by Ryabtev et al. (2014). Three independent atomic structure models have been used; one based on the semi-empirical pseudo-relativistic Hartree–Fock (HFR) method and two based on the fully relativistic ab initio multiconfiguration Dirac–Hartree–Fock (MCDHF) method.

Optical transition tuning of Er3+ in continuous tungsto-molybdate solid solution NaY(MoxW1-xO4)2 phosphors

Nowadays, the application scenarios of rare earth doped luminescent materials tend to be refined and complicated. The optical properties of rare earth doped materials are difficult to precisely control via the traditional design and synthesis methods, namely, changing doping concentration or preparative conditions. The aim of this study is to tune the optical transition properties of Er3+ in tungsto-molybdate NaY(MoxW1-xO4)2 (x = 0, 0.01, 0.1, 0.3, 0.5, 0.7, 0.9, 0.99 and 1.0) phosphors by changing the host matrix. The Er3+ doped continuous tungsto-molybdate solid solution NaY(MoxW1-xO4)2 phosphors were prepared via a solid state reaction technique at optimized calcination temperatures. The refractive indexes of the obtained solid solution samples were confirmed according to different models and compared. Subsequently, the optical transition intensity parameters, radiative transition rates and intrinsic radiative lifetimes of Er3+ in these solid solution phosphors were calculated in the framework of Judd-Ofelt theory. It was confirmed that the optical transition properties of Er3+ can be greatly tuned by the solid solution composition, and the tuning effects for different transitions are different. To validate the reliability of the Judd-Ofelt calculations, the temperature-dependent emission spectra of two green emissions of Er3+ for different solid solution samples were studied. It was found that the radiative transition rate ratios between two green emissions derived from theoretical calculations and experimental measurements are in reasonable agreement, thus proving that the optical transition calculations are reliable and the optical transition properties of Er3+ in the tungsto-molybdates can be tuned in a large range. This work reminds us of a new route for developing novel luminescence materials based on practical demands.

Identifying Electronic Transitions of Defects in Hexagonal Boron Nitride for Quantum Memories

AbstractA quantum memory is a crucial keystone for enabling large‐scale quantum networks. Applicable to the practical implementation, specific properties, i.e., long storage time, selective efficient coupling with other systems, and a high memory efficiency are desirable. Though many quantum memory systems are developed thus far, none of them can perfectly meet all requirements. This work herein proposes a quantum memory based on color centers in hexagonal boron nitride (hBN), where its performance is evaluated based on a simple theoretical model of suitable defects in a cavity. Employing density functional theory calculations, 257 triplet and 211 singlet spin electronic transitions are investigated. Among these defects, it is found that some defects inherit the Λ electronic structures desirable for a Raman‐type quantum memory and optical transitions can couple with other quantum systems. Further, the required quality factor and bandwidth are examined for each defect to achieve a 95% writing efficiency. Both parameters are influenced by the radiative transition rate in the defect state. In addition, inheriting triplet‐singlet spin multiplicity indicates the possibility of being a quantum sensing, in particular, optically detected magnetic resonance. This work therefore demonstrates the potential usage of hBN defects as a quantum memory in future quantum networks.