Materials Science in Semiconductor Processing最新文献

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Study of wet etching on long-wavelength InAs/GaSb Type-II superlattices
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-08 DOI: 10.1016/j.mssp.2025.109361
Yuanbo Zhang , Lidan Lu , Weiqiang Chen , Ruixin Gong , Yuhao Chen , Lianqing Zhu
{"title":"Study of wet etching on long-wavelength InAs/GaSb Type-II superlattices","authors":"Yuanbo Zhang ,&nbsp;Lidan Lu ,&nbsp;Weiqiang Chen ,&nbsp;Ruixin Gong ,&nbsp;Yuhao Chen ,&nbsp;Lianqing Zhu","doi":"10.1016/j.mssp.2025.109361","DOIUrl":"10.1016/j.mssp.2025.109361","url":null,"abstract":"<div><div>In the specialized arena of long-wave infrared (LWIR) detectors, the InAs/GaSb type-II superlattice (T2SL) has risen in prominence, capturing the keen interest of researchers and engineers. This is primarily because of its unique set of superior properties that contribute to its effectiveness in sensing and detecting long-wave infrared radiation. The current study delves into the realm of wet chemical etching for fast and cost-effective InAs/GaSb type-II superlattice LWIR detectors. The procedure involved a meticulous and systematic variation of the concentrations of key chemicals like citric acid, hydrogen peroxide, and phosphoric acid. The aim of this study was to perform single-variable experiments to elucidate the influence of different component ratios on the etching rate, surface roughness, device sidewall morphology, and the characteristics of surface deposits in etched long-wave nBn structure device. To visually capture the changes in the mesa's sidewall morphology, scanning electron microscopy (SEM) was employed. Energy dispersive spectroscopy (EDS) and X-ray photoelectron spectroscopy (XPS) were utilized to analyze the reaction products on the sidewall and surface. The results from these experiments were compelling. They revealed that when the ratio of H<sub>2</sub>O<sub>2</sub> to H<sub>3</sub>PO<sub>4</sub> was 1: 1, the surface roughness of the devices after etching was approximately 10 nm, which is considered ideal. Moreover, the sidewall etch angle in this condition approached nearly 70°, suggesting a well-defined etching pattern. An interesting phenomenon is that when the same H<sub>2</sub>O<sub>2</sub>: H<sub>3</sub>PO<sub>4</sub> = 1:1, most of the insoluble Sb<sub>2</sub>O<sub>3</sub> deposits can be dissolved with citric acid well. This process resulted in a relatively ideal mesa morphology, meaning the mesa structures were clean and well-defined, which is crucial for efficient detection.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109361"},"PeriodicalIF":4.2,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143372955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
High-performance solar-blind UV photodetector based on single p-type Cu-doped β-Ga2O3 microwire
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-08 DOI: 10.1016/j.mssp.2025.109370
Yan-Ming Wang , Xue Sui , Shuo Wang , Jia-Hui Shi , Yi-Han Yang , Qiu-Ju Feng , Chong Gao , Jing-Chang Sun
{"title":"High-performance solar-blind UV photodetector based on single p-type Cu-doped β-Ga2O3 microwire","authors":"Yan-Ming Wang ,&nbsp;Xue Sui ,&nbsp;Shuo Wang ,&nbsp;Jia-Hui Shi ,&nbsp;Yi-Han Yang ,&nbsp;Qiu-Ju Feng ,&nbsp;Chong Gao ,&nbsp;Jing-Chang Sun","doi":"10.1016/j.mssp.2025.109370","DOIUrl":"10.1016/j.mssp.2025.109370","url":null,"abstract":"<div><div>β-Ga<sub>2</sub>O<sub>3</sub> is a ideal material for fabricating solar-blind UV photoelectric detectors.</div><div>However, since the intrinsic β-Ga<sub>2</sub>O<sub>3</sub> shows n-type conductivity, achieving p-type has been challenging, thereby hindering the development of β-Ga<sub>2</sub>O<sub>3</sub> optoelectronic devices. In this study, we fabricated a photoconductive ultraviolet photodetector based on single Cu-doped β-Ga<sub>2</sub>O<sub>3</sub> microwire. Centimeter-scale β-Ga<sub>2</sub>O<sub>3</sub> microwires with varying Cu doping contents were synthesized using chemical vapor deposition method. These microwires had a diameter of approximately 30 nm and a length of up to about 0.8 cm. The p-type conductivity of the Cu-doped β-Ga<sub>2</sub>O<sub>3</sub> microwires was confirmed through thermoelectric effect testing. Futhermore, we found that the photodetector composed of microwire with Cu molar percentage of 3.4 % demonstrated the best UV detection performance. The single Cu-doped β-Ga<sub>2</sub>O<sub>3</sub> microwire detector exhibited excellent solar-blind photodetector performance, characterized by a high responsivity (57.7 A/W under a bias of 10 V), and external quantum efficiency of 28215 % (under a bias of 10 V), and an <em>I</em><sub>photo</sub>/<em>I</em><sub>dark</sub> ratio of 2.66 × 10<sup>4</sup> @ 10 V, as well as good stability and repeatability. This work provide a simple and efficient method to preparing p-type β-Ga<sub>2</sub>O<sub>3</sub> nano/microstructure and high-performance, stable β-Ga<sub>2</sub>O<sub>3</sub>-based photodetectors.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109370"},"PeriodicalIF":4.2,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143349642","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Strain engineering on the electronic bands, mechanical stability, thermal, vibrational and thermoelectric response of PtScSb half-Heusler semiconductor
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-08 DOI: 10.1016/j.mssp.2025.109368
Shakeel Ahmad Sofi , Musallam A.S. Tabook , Altaf A. Bhat , Adil Ahmad Bhat , Imed Boukhris , Y. Gul , T.H. Shah , G. Anjum , Dinesh C. Gupta
{"title":"Strain engineering on the electronic bands, mechanical stability, thermal, vibrational and thermoelectric response of PtScSb half-Heusler semiconductor","authors":"Shakeel Ahmad Sofi ,&nbsp;Musallam A.S. Tabook ,&nbsp;Altaf A. Bhat ,&nbsp;Adil Ahmad Bhat ,&nbsp;Imed Boukhris ,&nbsp;Y. Gul ,&nbsp;T.H. Shah ,&nbsp;G. Anjum ,&nbsp;Dinesh C. Gupta","doi":"10.1016/j.mssp.2025.109368","DOIUrl":"10.1016/j.mssp.2025.109368","url":null,"abstract":"<div><div>The noteworthy and dynamic aspects of materials science is to predict an innovative and versatile compounds that enfolds the colossal reaction by the executions of applied stress that imparts the gateway in applied fields. A prompt illustration for enhancement of variability of materials is characteristically established on first principles technique for enlightenment in the variability of compounds. The present manuscript delivers a widespread examination of strain dependent properties including lattice dynamics, thermophysical, mechanical and most significant thermoelectric properties at various levels of PtScSb Heusler material. The impact of applied isotropic strain ranging (−12 % to +4 %) has been keenly scrutinized. From the calculated elastic parameters including Pugh ratio, Young's modulus, Poisson ratio etc., we noticed that a decline trend is observed with the tensile strain and reveals an escalation with the compressive strain. The calculated mechanical parameters (Pugh's and Poisson) validated that the present material is brittle by the application of applied strain. With the intensification in the strain typically up to −12 %, material displays a ductile performance. Additionally, with the escalation of +4 % of tensile strain the present alloy lends towards brittle one. From the examination of bands, the energy band gap drops significantly with intensification in the tensile strength and the escalations of the strain factor. The applied strain effect on lattice dynamics approves the robust stability of PtScSb half Heusler material. The thermoelectric parameters including (lattice thermal conductivity, Seebeck coefficient, electrical conductivity, figure of merit) have been keenly checked at numerous strain levels that approves the material for waste heat recovery systems and as well as technological aspects. The parameters like Debye temperature, Grüneisen parameter etc., have also been predicted at various strain levels to check its thermal stability.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109368"},"PeriodicalIF":4.2,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143349641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Probing the role of silver and gold based double perovskite halide oxides for optoelectronic and photocatalytic applications
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-07 DOI: 10.1016/j.mssp.2025.109367
Attaur Rahman , Aqsa Abid , Muhammad Haneef , Bin Amin , Yasser Elmasry
{"title":"Probing the role of silver and gold based double perovskite halide oxides for optoelectronic and photocatalytic applications","authors":"Attaur Rahman ,&nbsp;Aqsa Abid ,&nbsp;Muhammad Haneef ,&nbsp;Bin Amin ,&nbsp;Yasser Elmasry","doi":"10.1016/j.mssp.2025.109367","DOIUrl":"10.1016/j.mssp.2025.109367","url":null,"abstract":"<div><div>Double perovskite halide oxides have shown great potential in various optoelectronic and photocatalytic applications due to their unique properties. Based on density functional theory (DFT), this study investigates the structural, mechanical, electronic, optical and photocatalytic properties of silver and gold based double perovskite halide oxides Ba<sub>2</sub>(Ag/Au)IO<sub>6</sub>. The Full-potential linearized augmented plane wave (FP-LAPW) method is used, executed in WIEN2k simulation code. The calculated structural parameters are in good agreement with the experimental results. Both these perovskite compounds exhibit the face centered cubic structure according to the Goldschmidt tolerance factor t<sub>o</sub> and octahedral factor μ<sub>o</sub> criteria of cubic structure formation. The negative values of formation enthalpy H<sub>f</sub>, the elastic properties, and mechanical properties of these compounds demonstrate their thermodynamic and mechanical stability. The band gap values of 2.30(2.07) eV for Ba<sub>2</sub>AgIO<sub>6</sub>(Ba<sub>2</sub>AuIO<sub>6</sub>) compounds are estimated by using Perovskite modified Becke-Johnson potential (P-mBJ) plus Hubbard parameter U, revealed significant agreement with the reported values. The observed reduction in the band gap of Ba<sub>2</sub>AuIO<sub>6</sub> as compared to Ba<sub>2</sub>AgIO<sub>6</sub> is due to the increase in atomic radii of Au over Ag. Furthermore, these compounds possess a direct band gap nature and exhibit promising optical behavior in ultraviolet region. The characteristic optical parameters of these compounds indicate their competency for optoelectronic applications. Moreover, the straddling of standard redox potential within the valence and conduction band edge potentials make them an excellent candidate for hydrogen production from photocatalytic water splitting.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109367"},"PeriodicalIF":4.2,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143317030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Surfactant-free octahedral Cu2O@Pd nanocrystals with enhanced and multifunctional sensor performances
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-07 DOI: 10.1016/j.mssp.2025.109364
Xinmei Liu, Guobin Zhu, Boen Zheng, Wenlong Yang, BoYang Liu
{"title":"Surfactant-free octahedral Cu2O@Pd nanocrystals with enhanced and multifunctional sensor performances","authors":"Xinmei Liu,&nbsp;Guobin Zhu,&nbsp;Boen Zheng,&nbsp;Wenlong Yang,&nbsp;BoYang Liu","doi":"10.1016/j.mssp.2025.109364","DOIUrl":"10.1016/j.mssp.2025.109364","url":null,"abstract":"<div><div>Biosensing materials are often constrained by their limited functionality, narrow detection range, and restricted sensitivity. In this study, we provided a simple method to synthesize surfactant-free Cu<sub>2</sub>O nanocrystals with octahedral structure. The distinctive octahedral structure amplified the specific surface area, thus facilitating Cu<sub>2</sub>O nanocrystals to demonstrate an enhanced sensor performance in detecting nitrite and glucose. In the detection of sodium nitrite concentration, the sensitivity octahedral of Cu<sub>2</sub>O surpassed that of hexapod Cu<sub>2</sub>O in previous studies by an enhanced factor of 2.03, enabling a wide detection range from 0 to 100.0 mM. Moreover, the modification of Cu<sub>2</sub>O nanocrystals by Pd could effectively enhance electron transfer and optimized sensor sensitivity. As the modified Pd reaches 15 at%, the Cu<sub>2</sub>O@Pd-15 % demonstrated the highest sensitivity (303.05 μA/mM·cm<sup>2</sup>) for nitrite detection. When the Pd modification rate at the interface was exceeded to 15 at%, the active sites on the surface of Cu<sub>2</sub>O would be covered and their quantity would be decreased, which was not conducive to further optimization of Cu<sub>2</sub>O sensor performance. The sensor constructed by Cu<sub>2</sub>O@Pd-15 % could detect high concentrations of glucose and directly measure the nitrite concentration in an aqueous solution, which remained a challenging for other sensor materials. Notably, Cu<sub>2</sub>O@Pd-15 % has been successfully employed in the analysis of sugar content in Coca-Cola, showcasing its multifunctionality and practicality. This work optimized the sensor performance of Cu<sub>2</sub>O by integrating the morphological optimization and surface modification, thereby offering an effective strategy for designing the multifunctional sensor materials.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109364"},"PeriodicalIF":4.2,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143317287","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Indium-free Zn-Sn-Al-O based thin-film transistors fabricated by plasma-enhanced atomic layer deposition
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-07 DOI: 10.1016/j.mssp.2025.109369
Shice Wei , Xiaojun Yu , Bojia Chen , Jiyuan Zhu , Xuefeng Wu , David W. Zhang , Li Ji , Qingqing Sun , Shen Hu
{"title":"Indium-free Zn-Sn-Al-O based thin-film transistors fabricated by plasma-enhanced atomic layer deposition","authors":"Shice Wei ,&nbsp;Xiaojun Yu ,&nbsp;Bojia Chen ,&nbsp;Jiyuan Zhu ,&nbsp;Xuefeng Wu ,&nbsp;David W. Zhang ,&nbsp;Li Ji ,&nbsp;Qingqing Sun ,&nbsp;Shen Hu","doi":"10.1016/j.mssp.2025.109369","DOIUrl":"10.1016/j.mssp.2025.109369","url":null,"abstract":"<div><div>The escalating demands of advanced display technologies, particularly in virtual and augmented reality applications, necessitate the development of sustainable alternatives to conventional indium-based amorphous oxide semiconductors. This study presents the fabrication and characterization of indium-free zinc-tin-aluminum oxide (ZTAO) thin-film transistors (TFTs) using plasma-enhanced atomic layer deposition (PEALD). Through precise control of PEALD supercycles, we systematically modulate the composition of ZTAO films while maintaining an amorphous structure. The optimized ZTAO (15:15:1) composition demonstrates superior electrical characteristics with a Hall mobility of 13.9 cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup>. Capitalizing on these optimized ZTAO films, we fabricate staggered bottom-gate TFTs and assess their electrical performances. The ZTAO (15:15:1) TFTs emerged as the optimal configuration, demonstrating excellent performance with a lower threshold voltage (−1.46 ± 0.34 V), high current on/off ratio ((1.13 ± 0.53) × 10<sup>6</sup>), remarkable field-effect mobility (10.92 ± 0.14 cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup>), and minimal subthreshold swing (0.48 ± 0.01 V dec<sup>−1</sup>). Enhancement of the performance is further achieved through post-annealing treatment at 250 °C in air, which also confirms the robust bias stability of devices (threshold voltage shift: 0.76 V and −1.17 V for positive and negative bias stress of 2000 s, respectively). These findings demonstrate the potential of PEALD-based ZTAO as a sustainable and high-performance alternative for next-generation display technologies.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109369"},"PeriodicalIF":4.2,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143317029","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Parylene with different functional groups as a passivation layer for highly stable a-IGTO thin-film transistors
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-07 DOI: 10.1016/j.mssp.2025.109325
Moonil Jung , Jin-Hwan Hong , Jong-Hyuk Choi , Moonsoo Kim , Kyeongbae Lee , Dongbhin Kim , Byoungdeog Choi
{"title":"Parylene with different functional groups as a passivation layer for highly stable a-IGTO thin-film transistors","authors":"Moonil Jung ,&nbsp;Jin-Hwan Hong ,&nbsp;Jong-Hyuk Choi ,&nbsp;Moonsoo Kim ,&nbsp;Kyeongbae Lee ,&nbsp;Dongbhin Kim ,&nbsp;Byoungdeog Choi","doi":"10.1016/j.mssp.2025.109325","DOIUrl":"10.1016/j.mssp.2025.109325","url":null,"abstract":"<div><div>A passivation layer on thin-film transistors (TFTs) plays a role in suppressing defects caused by back-channel penetration of moisture, oxygen, and various gases from the external environment.</div><div>Among passivation layer materials, polymers can be applied on flexible electronic devices and are relatively easy to fabricate. Herein, we employed parylene-N, parylene-C, and parylene-F as passivation layers on amorphous indium–gallium–tin oxide (a-IGTO) TFTs to improve their electrical characteristics and reliability. Compared to bare a-IGTO TFTs, parylene-passivated a-IGTO TFTs showed better field-effect mobilities (<span><math><mrow><mi>μ</mi></mrow></math></span>) and subthreshold swing (<em>SS</em>) as well as more stable threshold voltage shift (Δ<em>V</em><sub>th</sub>). In various stress tests (bias, illumination, and thermal), parylene-passivated a-IGTO TFTs showed higher stability than bare a-IGTO TFTs toward bias stress, illumination, and high temperature. The functional groups in the parylene passivation layer modified metal-oxide bonds, facilitating carrier transport and reducing oxygen vacancies that act as charge-trapping sites at the gate dielectric/channel interface. Furthermore, a water-soaking test was conducted on the bare and parylene-passivated a-IGTO TFTs for up to 12 h, confirming stable transfer characteristics throughout the duration in parylene-passivated a-IGTO TFTs.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109325"},"PeriodicalIF":4.2,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143317031","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Giant spin Seebeck in semiconducting ferromagnetic Ga0.5V0.5As
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-06 DOI: 10.1016/j.mssp.2025.109354
Timothy M. Ashani, Abdullah, Imran Khan, Jisang Hong
{"title":"Giant spin Seebeck in semiconducting ferromagnetic Ga0.5V0.5As","authors":"Timothy M. Ashani,&nbsp;Abdullah,&nbsp;Imran Khan,&nbsp;Jisang Hong","doi":"10.1016/j.mssp.2025.109354","DOIUrl":"10.1016/j.mssp.2025.109354","url":null,"abstract":"<div><div>The spin Seebeck effect (SSE) represents one of the most essential features in the field of spin caloritronics. The generation of spin current in magnetic materials based on temperature gradient is referred to as the SSE. However, a low SSE in most magnetic materials poses a setback to potential device applications. Hence, a search for new magnetic materials with a giant SSE becomes fundamental and time sensitive. So, we investigate the directional spin-dependent transport features of bulk Ga<sub>0.5</sub>V<sub>0.5</sub>As ferromagnetic semiconductor using the Boltzmann transport method. The spin-dependent electronic thermal conductivity (k<sup>↑</sup> and k<sup>↓</sup>) and electrical conductivity (σ<sup>↑</sup> and σ<sup>↓</sup>) obtained were higher along the perpendicular channel. We found a giant effective SSE of magnitude 1469 μVK<sup>-1</sup> along the perpendicular channel and 1440 μVK<sup>-1</sup> along the in-plane channel in the n-type systems. These values are several times larger than in most other bulk systems. Overall, we obtained higher ZT values in the perpendicular channel. Our calculated spin and charge ZT values of 0.59 and 0.63 are about 50 times higher than the ZT of bulk non-magnetic, pristine GaAs. Thus, our findings may serve as baseline data for further experimental studies on energy applications in the field of spin caloritronics.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109354"},"PeriodicalIF":4.2,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143317285","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Understanding the properties of novel ternary LiXN2 (X = V, Nb) nitrides for energy harvesting applications: A first-principles study
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-06 DOI: 10.1016/j.mssp.2025.109366
G. Murtaza , A. Javed , Muhammad Haseeb , A.W. Aslam , M.N. Rasul , Altaf Hussain
{"title":"Understanding the properties of novel ternary LiXN2 (X = V, Nb) nitrides for energy harvesting applications: A first-principles study","authors":"G. Murtaza ,&nbsp;A. Javed ,&nbsp;Muhammad Haseeb ,&nbsp;A.W. Aslam ,&nbsp;M.N. Rasul ,&nbsp;Altaf Hussain","doi":"10.1016/j.mssp.2025.109366","DOIUrl":"10.1016/j.mssp.2025.109366","url":null,"abstract":"<div><div>In this paper, theoretical results investigating the structural stability, electronic, optical and thermoelectric properties of new ternary LiXN<sub>2</sub> (X = V, Nb) nitrides are reported. Density functional theory calculations are performed using WIEN2K simulation code. Calculated formation energies of both LiVN<sub>2</sub> and LiNbN<sub>2</sub> are negative, thus confirming their thermodynamic and structural stability. Phonon dispersion spectra reveal positive frequencies for both nitrides, thus signifying their dynamic stability. Calculated elastic and mechanical properties also confirm the mechanical stability of LiXN<sub>2</sub> (X = V, Nb) nitrides. Electronic band structure and density of states (DOS) spectra confirm semiconducting nature of LiVN<sub>2</sub> and LiNbN<sub>2</sub> nitrides with energy band gaps of 1.35 eV and 1.07 eV, respectively. Calculation of optical properties of LiVN<sub>2</sub> and LiNbN<sub>2</sub> nitrides show strong absorption of light in the visible region. LiVN<sub>2</sub> and LiNbN<sub>2</sub>, exhibit absorption coefficients of 5.10 × 10<sup>5</sup> cm⁻<sup>1</sup> and 3.80 × 10<sup>5</sup> cm⁻<sup>1</sup>, respectively. For LiVN<sub>2</sub> and LiNbN<sub>2</sub>, calculated optical conductivities are 4.50 × 10<sup>3</sup> Ω⁻<sup>1</sup>m⁻<sup>1</sup> and 3.07 × 10<sup>3</sup> Ω⁻<sup>1</sup>m⁻<sup>1</sup>, respectively. High figure-of-merit (<span><math><mrow><mi>Z</mi><mi>T</mi></mrow></math></span>) values of LiVN<sub>2</sub> (2.24) and LiNbN<sub>2</sub> (3.48) at room temperature indicate their excellent potential use for thermoelectric applications. The combination of electronic, optical and thermoelectric properties of LiVN<sub>2</sub> and LiNbN<sub>2</sub> nitrides show their suitability for applications in a broad range of energy harvesting optoelectronic and thermoelectric devices.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109366"},"PeriodicalIF":4.2,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143317286","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tuning of defect mediated charge transport in pristine AgBiS2 nanocrystals probed via temperature dependent photoluminescence (TDPL) emission spectroscopy
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-06 DOI: 10.1016/j.mssp.2025.109351
Samia Aslam , Faiza Mustafa , Junaid Ali
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