Article
Physics, Condensed Matter
W. Akbar, I. Elahi, M. Zulfiqar, S. Nazir
Summary: Ab-initio calculations were used to explore the possibility of ferromagnetism in SnO2 through (Fe,TM= Sc, Ti, V, Cr, Mn, and Co) co-doping strategy. Results showed stable FM ground states in (Fe,Sc), (Fe,V), (Fe,Cr), (Fe,Mn), and (Fe,Co) co-doped SnO2 materials, with the highest magnetic transition temperature (Tc) of 884 K observed in the (Fe,Mn) co-doped system. Of particular interest is the half-metallic behavior exhibited in the (Fe,V) co-doped structure with a Tc of 207 K, making it a promising candidate for applications in magnetic memory devices.
PHYSICA B-CONDENSED MATTER
(2021)
Article
Chemistry, Multidisciplinary
Derek S. Wang, Susanne F. Yelin, Johannes Flick
Summary: This study demonstrates how to tune the optical properties of defects in solid-state materials via the formation of defect polaritons in an optical cavity from first principles. It shows significant polaritonic splitting and absorption intensity enhancement, potentially overcoming phonon-limited single-photon emission from defect centers. These findings are expected to inspire experimental investigations of strong light-matter coupling between defect centers and cavity photons for applications in quantum technologies.
Article
Chemistry, Physical
Yu Gao, Jianhong He, Huazhong Guo
Summary: This paper explores a better SnO2-based co-doped method and calculates the properties of the co-doped materials using ab initio calculations. The results show that Sn13FeVO32 has a high Curie temperature and good ferromagnetic properties. The holes or electrons generated by the complexes in the co-doped system cause a spin-polarized double exchange effect, leading to the magnetism of the co-doped systems. In addition, the static dielectric constant of the system increases after doping, with Sn14FeVO31 having the largest polarization ability and better photocatalytic properties.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Multidisciplinary Sciences
Ittipon Fongkaew, Benjaporn Yotburut, Wutthigrai Sailuam, Warakorn Jindata, Theerawee Thiwatwaranikul, Atchara Khamkongkaeo, Nattapong Chuewangkam, Nantawat Tanapongpisit, Wittawat Saenrang, Rapee Utke, Prasit Thongbai, Supree Pinitsoontorn, Sukit Limpijumnong, Worawat Meevasana
Summary: Research shows that the magnetic properties of MgO are affected by intrinsic defects and hydrogen impurities, with V-Mg identified as the origin of magnetism and ferromagnetism in MgO. Hydrogen atoms suppress the magnetic moment of MgO, indicating that magnetization can be controlled through heat treatment and hydrogen doping.
SCIENTIFIC REPORTS
(2022)
Article
Materials Science, Multidisciplinary
Haechan Park, Shuanglong Liu, James N. Fry, Hai-Ping Cheng
Summary: In this study, the magnetic interactions between Mn atoms in bilayer manganese phthalocyanine (MnPc) molecules and MnPc polymeric sheets were investigated using first-principles simulations. The Neel antiferromagnetic (AFM) configuration within a layer and ferromagnetic (FM) configuration between Mn atoms in adjacent layers was found to be the magnetic ground state. The strongest interaction was identified as the interlayer coupling between the closest Mn atoms.
Article
Chemistry, Physical
Ji-Hyun Hur
Summary: Multiferroic materials have long been considered as strong candidates for technological breakthroughs in nanodevice applications, yet a complete winner has not been identified due to the disadvantages of each material. The recently discovered multiferroicity in the 2D Cr2Ge2Te6/In2Se3 van der Waals heterostructure represents an important opportunity for a new turning point in multiferroic research.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Natalya S. Fedorova, Dmitri E. Nikonov, Hai Li, Ian A. Young, Jorge Iniguez
Summary: In this paper, the simplest, lowest-order Landau-like potential for BiFeO3 and La-doped BiFeO3 is introduced, which is expanded in powers of polarization, FeO6 octahedral rotations, and strains. An analytical approach is presented for computing the model parameters from density-functional theory. The potentials for BiFeO3 and La0.25Bi0.75FeO3 are computed, and it is shown that the first-principles results are accurately captured, including properties that were not considered for the calculation of the model parameters. The computed models allow the identification and explanation of the main interactions controlling the relative stability of the competing low-energy phases of these compounds.
Article
Materials Science, Multidisciplinary
Haoran Zhu, Peixuan Liu, Xu Zuo, Bin Shao
Summary: This paper reveals that the antiferromagnetic ground state of CrOCl is determined by the competition of magnetic exchange interactions, and the adjustment of parameters can lead to the experimentally observed ground state.
Article
Chemistry, Multidisciplinary
Yulin Feng, Zilong Wang, Na Liu, Qing Yang
Summary: Two-dimensional multiferroic materials with intrinsic ferromagnetism and ferroelasticity are rare, but desirable for nano-electrical devices. Using first-principles calculations, we found that MnOX (X = Cl, Br) monolayers exhibit intrinsic half-metallic multiferroicity with ferromagnetic and ferroelastic properties. The Curie temperatures of MnOCl and MnOBr were estimated to be around 220 K and 210 K, respectively, and could be further enhanced by tensile strain. The MnOBr monolayer showed modulated in-plane magnetic easy axis due to ferroelastic switching and robust magnetoelastic coupling.
Article
Chemistry, Multidisciplinary
Kaijuan Pang, Xiaodong Xu, Yadong Wei, Tao Ying, Weiqi Li, Jianqun Yang, Xingji Li, Yongyuan Jiang, Guiling Zhang, Weiquan Tian
Summary: This study investigates the coupling between ferromagnetism and ferroelectricity in a multiferroic Janus 1T-FeSSe monolayer using the first-principles method. It is found that the magnetic moment of Fe atoms and polarization can be strain-engineered, providing a new platform for designing low-dimensional multiferroic electronics.
Article
Chemistry, Physical
Loi T. Nguyen, Matthieu Saubanere, Qiang Zhang, Robert J. Cava
Summary: High-purity polycrystalline Na0.5La0.5RuO3 was synthesized using a solid-state method, revealing it to be an orthorhombic perovskite with random La/Na mixing. While no magnetic ordering was observed down to 1.8 K, a glassy magnetic transition was indicated by a broad hump at 1.4 K in the heat capacity, attributed to the influence of the random distribution of Na and La on the perovskite A-sites. The data and analysis suggest that mixing cations with different charges and sizes on the A-site in this perovskite leads to magnetic frustration through a balance of local magnetic exchange interactions.
CHEMISTRY OF MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Chao Liu, Guodong Zhao, Tao Hu, L. Bellaiche, Wei Ren
Summary: Using first-principles calculations, a new BiFeO3 phase coined I-BFO with layered characteristics based on the ilmenite structure is predicted. The monolayer form of I-BFO is found to be dynamically stable and exhibits robust antiferromagnetic properties with potential for improvement under strain. Electronic structure calculations indicate it as an indirect-gap semiconductor, while suggesting potential for other ABO3 compounds to produce layered materials.
Article
Chemistry, Physical
Long Lin, Yujin Chen, Hualong Tao, Linwei Yao, Jingtao Huang, Linghao Zhu, Mengsi Lou, Ruixin Chen, Longbin Yan, Zhanying Zhang
Summary: The magnetic and optical properties of Fe and Cr doped SnS2 were studied, revealing spin polarization and ferromagnetic coupling in the doped system. The introduction of Fe and Cr atoms resulted in higher absorption coefficients in the long-wavelength infrared region, making them potential candidates for spintronic devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Yue Chen, Wenyu Fang, Fengxin Liu, Kuan Kuang, Xinglin Xiao, Haoran Wei, Mingkai Li, Yunbin He
Summary: Based on first-principles calculations, the properties and characteristics of Au contacts on different SnO2 interfaces were investigated. The Schottky barrier height (SBH) was found to strongly depend on the interface structure and the presence of oxygen vacancies (VO) in the SnO2 layer. Additionally, doping with low-valence elements can alter the contact properties. The modulation effect of SBH is mainly caused by the rearrangement of interfacial potentials and results in different SBH values.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Si Li, Shan-Shan Wang, Bo Tai, Weikang Wu, Bin Xiang, Xian-Lei Sheng, Shengyuan A. Yang
Summary: Layered material 1T-CrTe2 exhibits robust magnetic ordering and ferromagnetism above room temperature, with stable monolayer form and high Curie temperature. Interestingly, both bulk and monolayer 1T-CrTe2 show vanishing anomalous Hall effect in the ground state, but it can be enhanced by adjusting magnetization direction or applying uniaxial strains.
Article
Engineering, Electrical & Electronic
Nishi Mehak, Bindu Rani, Aadil Fayaz Wani, Shakeel Ahmad Khandy, Ajay Singh Verma, Atif Mossad Ali, M. A. Sayed, Shobhna Dhiman, Kulwinder Kaur
Summary: In this study, the electronic, structural, and thermoelectric properties of newly designed layered rare-earth metal germanide halides were investigated. The materials showed promising thermoelectric performance, making them suitable candidates for energy harvesting in thermoelectric applications.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Devidas I. Halge, Vijaykiran N. Narwade, Nabeel M. S. Kaawash, Pooja M. Khanzode, Sohel J. Shaikh, Jagdish W. Dadge, Prashant S. Alegaonkar, Rajeshkumar S. Hyam, Kashinath A. Bogle
Summary: This study presents the design and fabrication of a high-performance blue light photodetector using an n-type cadmium sulfide (CdS) thin film and a p-type polyaniline (PANI). The photodetector demonstrates exceptional performance characteristics, including high responsivity, detectivity, and sensitivity, along with rapid response time and rectification behavior. The research represents a significant advancement in the field of high-performance photodetectors.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Da Hu, Jiabin Lu, Qiusheng Yan, Yingrong Luo, Ziyuan Luo
Summary: This study introduces a chemical mechanical polishing technique based on metal electrochemical corrosion for single-crystal SiC to address the environmental pollution caused by the polishing solution in chemical mechanical polishing. Wear experiments were conducted to investigate the wear properties of SiC C-surface under different grinding ball materials and solutions. The proposed mechanism of material removal in single-crystal SiC via metal electrochemical corrosion was discussed.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Lifang Mei, Long Lin, Dongbing Yan, Yu Liang, Yu Wu, Shuixuan Chen
Summary: This paper investigates the removal of CuO particles from silicon wafer surfaces using a picosecond laser. Numerical calculations and experimental research were conducted, and a thermal-stress coupled finite element model was established. The results show that as the laser energy density increases, the removal rate of CuO particles initially increases and then decreases, while the roughness of the silicon substrate decreases and then increases.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Michihiro Yamada, Shuhei Kusumoto, Atsuya Yamada, Kentarou Sawano, Kohei Hamaya
Summary: In this study, we demonstrated the low-temperature growth of a Ge layer on a Co-based Heusler alloy via Sn doping, which improved the magnetic properties and spin signal.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Xiang-Long Wei, Bao-Feng Shan, Zong-Yan Zhao
Summary: This study synthesized and characterized a CuAlO2/CuGaO2 heterostructure and evaluated its photocatalytic performance. The heterostructure exhibited superior performance compared to individual CuAlO2 and CuGaO2 photocatalysts, with increased carrier concentration, enhanced redox capabilities, superior electrochemical stability, and reduced interfacial resistance. Photocatalytic experiments demonstrated the remarkable oxidation potential and notable reduction activity of the heterostructure, outperforming CuAlO2 and CuGaO2 in degradation rates and hydrogen production rates, respectively. These findings highlight the superior performance and broad applicability of the CuAlO2/CuGaO2 heterostructure in various photocatalytic reactions.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Micka Bah, Daniel Alquier, Marie Lesecq, Nicolas Defrance, Damien Valente, Thi Huong Ngo, Eric Frayssinet, Marc Portail, Jean-Claude De Jaeger, Yvon Cordier
Summary: This study investigates the AlN nucleation layer issue in GaN high frequency telecommunication and power switching systems fabricated after heteroepitaxy on Silicon or Silicon Carbide. It is shown that using 3C-SiC as an intermediate layer can significantly decrease RF propagation losses. Measurements and analyses demonstrate that dopant diffusion into the 3C-SiC pseudo-substrate is confined beneath the interface, and a slightly conductive zone is present beneath the AlN/3C-SiC interface, explaining the low propagation losses obtained for the devices. This work highlights the importance and efficiency of the 3C-SiC intermediate layer as a pseudo-substrate.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Shuang Wang, Lijun Wu, Zhiqing Wang, Ziyue Qian
Summary: The geometric structure and electrical properties of zigzag and armchair DWSiNT perfect tubes with different Stone-Wales defects were simulated using the SCC-DFTB method. It was found that the atomic arrangement, stability, energy gap, and charge distribution strongly depend on the type of tube. The effects of strong and weak electric fields on the tubes were also investigated, showing different impact on stability and energy gap. These findings have implications for future experimental studies.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Nanda Kumar Reddy Nallabala, Sunil Singh Kushvaha, Sambasivam Sangaraju, Venkata Krishnaiah Kummara
Summary: This study focuses on the preparation and performance of MIS-type high-k dielectric oxide-based UV photodetectors. The researchers found that the Au/Ta2O5/GaN devices prepared on Ta2O5/GaN heterojunction with post-annealing exhibited improved photoresponsivity, EQE, and rise/fall times. This improvement is attributed to the optimized band configuration of the Ta2O5/GaN heterostructure and the effect of post-annealing on photogenerated charge carriers.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Jean-Francois Michaud, Marc Portail, Daniel Alquier, Dominique Certon, Isabelle Dufour
Summary: This paper reviews the use of MEMS devices without sensitive layers in gas detection applications. These devices can measure a physical property of the gas to determine its concentration, and have the advantages of generality and high detection limits.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Kanyu Yang, Chaojie Shi, Ruizhao Tian, Haoyue Deng, Jie He, Yangyang Qi, Zhengchun Yang, Jinshi Zhao, Zhen Fan, Jun Liu
Summary: This study investigates the electrical and synaptic properties of Ag/TiO2 nanorod/FTO-based RRAM devices, focusing on the impact of different seed layer thicknesses on nanorod thickness and RRAM performance. The devices show remarkable achievements in terms of endurance, self-compliance, and resistance switching ratio. The switching mechanism is attributed to space-charge-limited conduction resulting from electron trapping in oxygen vacancy traps. The devices also maintain stable synaptic properties even after undergoing multiple cycles of long-term potentiation and depression.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Karthickraj Muthuramalingam, Wei-Chih Wang
Summary: This study presents a non-destructive approach using terahertz time-domain spectroscopy (THz-TDS) to estimate the electrical properties of semi-insulating compound semiconductors. The study successfully measures the resistivity and carrier concentration of semi-insulating Silicon Carbide (SiC) and Indium Phosphide (InP) wafers using THz-TDS in transmission mode. The simplified Drude model and the Nelder-Mead algorithm are employed to estimate the electrical properties, and the results are in accordance with the manufacturer specifications. The feasibility of non-destructive mapping of the electrical properties is demonstrated, offering a promising tomographic inspection approach for online monitoring.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Pengfei Wei, Rui Tong, Xiaofeng Liu, Yao Wei, Yongan Zhang, Xu Liu, Jian Dai, Haipeng Yin, Dongming Liu
Summary: This study investigates the influence of SiNx and SiOxNy as rear-side passivation films on the performance of PERC+ cells. SiNx film is found to have better passivation performance and resistance to aluminum paste erosion, while SiOxNy film exhibits better optical performance. By designing multi-layer SiNx/SiOxNy/SiNx stacks, the cells' efficiency and bifaciality are significantly improved.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Shuangting Ruan, Xiaolan Li, Wen Cui, Zhihui Zhang, Zhihui Xu, Huanqi Cao, Shougen Yin, Shishuai Sun
Summary: Integrating photosensitive electrode materials can effectively improve the low temperature tolerance and enhance energy density and power density. The surface morphology reconstruction technique can increase the active surface area and improve electrolyte contact, leading to higher specific capacity. Additionally, the electrodes demonstrate excellent photoelectric and photothermal conversion abilities, allowing the supercapacitor to maintain high energy density even at low temperatures.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Review
Engineering, Electrical & Electronic
Ashmalina Rahman, James Robert Jennings, Mohammad Mansoob Khan
Summary: This review provides a comprehensive overview of the synthesis and applications of nanostructured CuInS2 in photocatalytic applications. Various strategies, including the introduction of dopants, surface decoration, and heterojunction formation, have been summarized to improve the photocatalytic performance of CuInS2. However, scientific challenges such as the high carrier recombination rate limit the broad application of CuInS2.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)