Publications by authors named "Chang-Kui Duan"

Article Synopsis
  • The study investigates the emission properties of Cr-doped ScO phosphor, which emits in two important near-infrared (NIR) bands, useful for spectroscopy and medical applications.
  • Through first-principles calculations, it was determined that the NIR-I emission peak at 840 nm is associated with Cr ions at a specific site in the crystal structure, while the broader NIR-II emission at 1280 nm likely involves trace impurities rather than Cr.
  • The research highlights the utility of systematic computational approaches in understanding luminescent behaviors of materials, particularly when examining the role of defects and dopants like Cr and Ni.
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We report new experimental results on exotic spin-spin-velocity-dependent interactions between electron spins. We designed an elaborate setup that is equipped with two nitrogen-vacancy (NV) ensembles in diamonds. One of the NV ensembles serves as the spin source, while the other functions as the spin sensor.

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The precise measurement of the gravity of Earth plays a pivotal role in various fundamental research and application fields. Although a few gravimeters have been reported to achieve this goal, miniaturization of high-precision gravimetry remains a challenge. In this work, we have proposed and demonstrated a miniaturized gravimetry operating at room temperature based on a diamagnetic levitated micro-oscillator with a proof mass of only 215 mg.

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Predicting the defect levels of transition metal (TM) dopants in the band gap of crystals is critical in determining the charge states of TM dopants and explaining their electronic and optical properties. By analyzing the calculated charge transition levels and the crystal-field strengths of all the 3d-TM ions in several insulators, we demonstrate that the variation trend of the 3d-TM dopants in a crystal is a scaling of the variation of 3d-electron binding energies (ionization potential) of the free TM ions corrected by adding the contribution of the 3d-orbital's crystal-field splitting. We therefore develop a model to predict the relative location of TM ions' defect levels in the band gap from the defect level and crystal-field splitting of a reference TM ion in the host of concern.

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Sb-doped Cd-based inorganic halides, with varying connections of CdCl octahedra ranging from 0D to 3D, exhibit a variety of photoluminescent properties. Single-band emission is observed in Sb-doped RbCdCl (0D) and CsCdCl (2D), while dual-band emission is seen in Sb-doped RbCdCl (1D) and CsCdCl (3D). Density-functional-based first-principles calculations were conducted.

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Exceptional points (EPs) are singularities in non-Hermitian systems, where k (k ≥ 2) eigenvalues and eigenstates coalesce. High-order EPs exhibit richer topological characteristics and better sensing performance than second-order EPs. Theory predicts even richer non-Hermitian topological phases for high-order EP geometries, such as lines or rings formed entirely by high-order EPs.

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The Jarzynski equality (JE), which connects the equilibrium free energy with nonequilibrium work statistics, plays a crucial role in quantum thermodynamics. Although practical quantum systems are usually multilevel systems, most tests of the JE were executed in two-level systems. A rigorous test of the JE by directly measuring the work distribution of a physical process in a high-dimensional quantum system remains elusive.

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Undoped YTiO exhibits impurity emission bands at low temperatures due to Mn and Cr, as established by codoping with these ions. Contrary to a recent report by Wang et al., , , 36834-36844, we do not observe Bi emission in this codoped host, as also is the case for Fe.

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Searching for exotic interactions provides a path for exploring new particles beyond the standard model. Here, we used an ensemble-NV-diamond magnetometer to search for an exotic spin- and velocity-dependent interaction between polarized electron spins and unpolarized nucleons at the micrometer scale. A thin layer of nitrogen-vacancy electronic spin ensemble in diamond is utilized as both the solid-state spin quantum sensor and the polarized electron source, and a vibrating lead sphere serves as the moving unpolarized nucleon source.

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How to illuminate dark matter has become the foremost open question in fundamental science nowadays, which is of great significance in understanding the laws of nature. Exploring exotic interactions beyond the standard model is one of the essential approaches to searching for dark matter particles. Although it has been explored in a variety of lab-scale and tabletop-scale setups over the past years, no such interactions have been observed, and improving the sensitivity significantly becomes of paramount importance, but challenging.

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The site-dependent photoluminescence of activators can be regulated by the sintering atmosphere, coexistence conditions, and especially cation codoping, which have been intensively studied for design and optimization of optical functional materials. Here, first-principles calculations are performed to determine the regulation of the site occupancy, valence states and optical transitions of Mn activators codoping in yttrium aluminum garnets (YAGs), which contain three different cation sites. Without any codopants, Mn dominates in defect concentration and photoluminescence, which can hardly be tuned by the sintering atmosphere or coexistence conditions of YAGs with other competing compounds.

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High quality nanomechanical oscillators are promising platforms for quantum entanglement and quantum technology with phonons. Realizing coherent transfer of phonons between distant oscillators is a key challenge in phononic quantum information processing. Here, we report on the realization of robust unidirectional adiabatic pumping of phonons in a parametrically coupled nanomechanical system engineered as a one-dimensional phononic topological insulator.

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The abundant site occupancy and optical transitions of multivalence Mn dopants in luminescent materials have attracted much attention. Here, detailed first-principles calculations based on density functional theory have been carried out to clarify the multisite and multivalence nature of Mn ions in solids and predict their optical transition properties by using garnets as prototype systems. The formation energies of dodecahedral, octahedral, and tetrahedral coordinated Mn dopants are evaluated with chemical potential environments, and the preferable site occupancy and valence state of Mn ions in three garnet systems are clarified.

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The Cr activators have been adopted to produce desired near-infrared broadband emission via ligand field engineering by choosing hosts with appropriate sites. First-principles calculations help to analyze the site, valence, and luminescent mechanism of the activators. Our calculations on MgAlSiO:Cr elucidate that the activators are dominated by Cr at tetrahedral Al and octahedral Mg sites, while the experimentally reported near-infrared emission previously assigned to tetrahedral sites is actually produced by Cr at the octahedral site.

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We report an experimental investigation of quantum correlations in a two-qutrit spin system in a single nitrogen-vacancy center in diamond at room temperatures. Quantum entanglement between two qutrits was observed at room temperature, and the existence of nonclassical correlations beyond entanglement in the qutrit case has been revealed. Our work demonstrates the potential of the NV centers as the multiqutrit system to execute quantum information tasks and provides a powerful experimental platform for studying the fundamental physics of high-dimensional quantum systems in the future.

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First-principles calculations based on density functional theory have been performed to investigate the electronic structure, excited-state Jahn-Teller distortion, and photoluminescence of the multielectron system of the strongly covalent tetrahedral coordinated Mn activator in solids. The electronic structure of the T and A/E excited states is analyzed, and Slater's transition-state method and occupation matrix control methodology are applied to deal with the spin contamination in the lower-spin excited states, which is due to the mixing of the ground state of the same spin projection number. In a series of covalent tetrahedral coordinations, the A → T and A/E excitations and the T → A emission energies are obtained and compared to the reported experimental results.

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Luminescent s centers have shown great potential for applications as phosphors and scintillators. First-principles calculations based on density functional theory are performed to systematically analyze the luminescent centers of isolated and paired Bi(6s) ions in layered LnOCl (Ln = Y, Gd, La) crystals. The spin-orbit coupling and orbital hybridization both show important effects on the luminescence properties.

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Ce-doped LiSr(BO) phosphors have been prepared by a high-temperature solid-state reaction method, and structural refinement of the host compound has been performed. The excitation and emission spectra in the vacuum ultraviolet-ultraviolet-visible range at cryogenic temperatures reveal that Ce ions preferentially occupy eight-coordinated Sr sites in LiSr(BO). Such experimental attribution is well corroborated by the calculated 4f-5d transition energies and defect formation energies of Ce ions at two distinct Sr sites in the first-principles framework.

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Rare-earth vanadates, niobates, and tantalates have shown self-activated and Bi-activated emissions. Their intrinsic emission has been attributed to self-trapped excitons (STEs), but the detailed information concerning the geometric and electronic structures of the excited states has remained unknown. Regarding the Bi dopants in these hosts, the luminescence has been attributed to two different mechanisms, .

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Bismuth dopants have attracted intensive studies experimentally for their extremely broad near-infrared luminescence. Here we performed first-principles calculations to investigate the site occupancy and valence state by taking the condition of synthesis into consideration, and then calculated the excited states and various transitions of the bismuth ions by focusing on the targeted valent state Bi in a variety of ternary chloride MXCl (M = K, Rb, Cs; X = Mg, Cd) hosts. The results on formation energies and charge transition levels show that vacant defects play an important role in the charge compensation for the bismuth dopants, and a lower chemical potential of chlorine benefits the stabilization of Bi at monovalent M sites.

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Luminescent materials with controllable colour evolution features are demanded for the development of multi-level anti-counterfeiting technologies. Here we report the structural and luminescence properties of CaMgSi2O6:Ln (Ln = Eu2+, Eu3+, Eu2+/3+) samples in detail and reveal their excitation-wavelength/temperature driven colour evolution characteristics. By tuning either the excitation-wavelength (276, 304, 343, 394 nm) or temperature (in the 330-505 K range), the designed samples with co-existing Eu2+/Eu3+ ions can achieve diverse and controllable colour evolution from red, to pink, purple and blue.

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The exceptional point, known as the non-Hermitian degeneracy, has special topological structure, leading to various counterintuitive phenomena and novel applications, which are refreshing our cognition of quantum physics. One particularly intriguing behavior is the mode switch phenomenon induced by dynamically encircling an exceptional point in the parameter space. While these mode switches have been explored in classical systems, the experimental investigation in the quantum regime remains elusive due to the difficulty of constructing time-dependent non-Hermitian Hamiltonians in a real quantum system.

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Bismuth ion-doped phosphate crystals have shown rich luminescence phenomena. However, the complexity and variety of Bi-related transitions bring great challenges to the understanding of the underlying mechanisms, rendering it hard to rationally design new phosphors and optimize their performance. In this work, we perform first-principles calculations based on the generalized gradient approximation of density functional to obtain the excited state equilibrium geometric structures and then calculate the electronic structures for various Bi-related excited states in phosphates RPO:Bi (R = Y, Lu, La) by utilizing the hybrid density functional method.

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Detecting magnetic field is of great importance for many applications, such as magnetoencephalography and underground prospecting. There have been many magnetometers being widely used since the age of Hall magnetometer. One of the magnetometers, the superconducting quantum interference device, is capable of measuring femtotesla magnetic fields at cryogenic temperature.

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Topological soliton states, existing in the topological structures with edge defect or interface defect, are usually studied under steady state. Here, we experimentally observe the dynamic processes of the generation and the extinction of such soliton states in the Su-Schrieffer-Heeger model. The different topological structures are implemented on a programmable nanomechanical lattice, consisting of eight adjacent string resonators which are parametrically coupled by manipulation voltages.

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