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Stability, Electronic and Magnetic Properties of Rare Earth (Eu, Tm) Implanted InGaN
摘要： The electronic structure and magnetic behavior of InGaN:RE (RE = Eu, Tm) have been studied by using scalar relativistic full-potential linear augmented-plane-wave plus local orbital (FPLAPW + lo) calculations with LSDA+U approximation. Band structure and density of states are analyzed. It appears that the In-site is the preferred site for doping InGaN alloy with rares earth (Eu, Tm) from the formation energy. Our study reveals that these materials are semiconductors with a direct band gap of 1.2345 eV and 1.3657 eV for InGaN:Eu and InGaN:Tm respectively. The total energy of the FM phase is lower than the AFM total energy; this confirms the fact that the ground state at zero temperature is ferromagnetic. A small-induced magnetic moment on other nonmagnetic atoms (Ga, In, and N) and the total magnetic moment of these compounds is mainly due to RE-4f states.
关键词： InGaN alloy,Europium,DMS,Direct band gap,Thulium
更新于2025-09-23 15:22:29
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Investigation of photocatalytic, electrochemical, optical and magnetic behaviors of rare-earth double perovskites using combustion synthesized Gd2NiMnO6 nanostructures in the presence of different saccharides
摘要： This paper reports combustion synthesis of Gd2NiMnO6 nanostructures (GNMO NSs), for the ?rst time, through reaction between metal nitrates in the presence of different saccharides, as capping and reducing agents. Analysis of XRD, FT-IR, EDS, along with TEM and SEM images and also VSM and DRS spectra were applied to study the NSs. The VSM showed an antiferromagnetic behavior. The DRS spectroscopy ascertained semiconducting behavior of GNMO NSs with Eg ? 3.05 eV for optimum sample prepared in the presence of glucose at 1000 (cid:2)C. The CV was used to investigation of electrochemical property of the NSs. For the ?rst time, the photocatalytic behavior of the GNMO NSs was evaluated, using the degradation of organic dyes under UV irradiation. The photodegradation of EDT was almost similar to that of ES, except for initial times of the irradiation. The degradation percentage of EBT and ES in the presence of GNMO NSs was large, whereas that of MV was little in the time range.
关键词： Direct band gap,Photocatalysis,Antiferromagnetism,Gd2NiMnO6,Combustion,Nanostructures
更新于2025-09-23 15:21:21
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Predicted CsSi Compound: A Promising Material for Photovoltaic Applications
摘要： Exploration of photovoltaics materials has received enormous interest in a wide range of both fundamental and applied research. Therefore, in this work, we identify a CsSi compound with a Zintl phase for a promising candidate of photovoltaic materials by using global structure prediction method. Electronic structure calculations indicate that this phase possesses a quasi-direct band gap of 1.45 eV, suggesting that its optical properties could be superior to diamond-Si for capturing sunlight from the visible to the ultraviolet range. In addition, a novel silicon allotrope is obtained by removing Cs atoms from this CsSi compound. The superconducting critical temperature of this phase was estimated as a Tc of 9 K in terms of a substantial density of states at the Fermi level. Our findings represent a new promising CsSi material for photovoltaic applications, as well as a potential precursor of a superconducting silicon allotrope.
关键词： Zintl phase,quasi-direct band gap,photovoltaics,superconducting silicon allotrope,CsSi compound
更新于2025-09-23 15:21:01
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Silicene Quantum Dots Confined in Few-Layer Siloxene Nanosheets for Blue Light-Emitting Diodes
摘要： Two-dimensional silicon-based materials have unique physical and chemical properties due to high surface area and quantum confinement effects. Herein, a topochemical reaction method is used for preparing silicene quantum dots confined in few layer siloxene nanosheets with FeCl3?6H2O as oxidant, which shows thickness less than 2 nm. The experimentally prepared siloxene nanosheets are dispersible, with silicene quantum dots having average diameter less than 5 nm. The silicene quantum dots are self-organized through the oxidation of FeCl3, showing unique optical properties of blue emission. The UV-visible absorption and PL emission spectra indicate the quasi-direct band gap transition to the emission. Besides, the few-layer siloxene nanosheets with silicene quantum dots have a radiative lifetime of 1.098 ns at an emission wavelength of 435 nm, which derives from the quasi-direct band transition of silicene quantum dots. Such two-dimensional nanosheets of silicon possess potential applications for the emitting layer materials of blue light-emitting diodes (LED).
关键词： topochemical reaction,silicene quantum dot,photoluminescence,siloxene,quasi-direct band gap
更新于2025-09-12 10:27:22
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Photodetector based on heterostructure of two-dimensional WSe2/In2Se3
摘要： Heterojunctions formed by two-dimensional (2D) layered semiconducting materials have been studied extensively in the past several years. These van der Waals (vdW) structures have shown great potential in future electronic and optoelectronic devices. However, the optoelectronic performance of these devices is limited by the indirect band gap of the multilayer materials and low light absorption of single layer materials. Here, we fabricate photodetectors based on heterojunctions composed of n-type multilayer α-Indium Selenide (In2Se3) and p-type Tungsten Diselenide (WSe2) for the first time. The direct band gap of multilayer α-In2Se3 and type-II band alignment of the WSe2/In2Se3 heterojunction enable high optoelectronic performance of the devices at room temperature in the air. Without light illumination, the dark current is effectively suppressed to 10-13 A under -1 V bias and a high rectification ratio of 7.37×103 is observed. Upon laser illumination with the wavelength of 650 nm, the typical heterojunction device exhibits a photocurrent on/off ratio exceeding 1.24×105, a maximum photo responsivity of 26 mA/W and short photoresponse time of 2.22 ms. Moreover, the heterojunction photodetectors show obvious light response in the wavelength range from 650 nm to 900 nm. The present 2D vdW heterojunctions composed of direct band gap multilayer materials show great potential in future optoelectronic devices.
关键词： In2Se3,photodetector,two-dimensional materials,WSe2,direct band gap materials,heterojunction
更新于2025-09-11 14:15:04