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Suppression of channel migration in 2D multilayer ReS2 via hBN passivation 通过hBN钝化抑制二维多层ReS2中的通道迁移
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-06-26 DOI: 10.1016/j.jpcs.2025.112983
Hyeong Jin Choi, Gyu-Tae Kim
{"title":"Suppression of channel migration in 2D multilayer ReS2 via hBN passivation","authors":"Hyeong Jin Choi,&nbsp;Gyu-Tae Kim","doi":"10.1016/j.jpcs.2025.112983","DOIUrl":"10.1016/j.jpcs.2025.112983","url":null,"abstract":"<div><div>Multilayer rhenium disulfide (ReS<sub>2</sub>) has garnered attention due to the decoupled van der Waals interactions between its adjacent layers, resulting in significantly higher interlayer resistivity compared to other layered materials. However, for field-effect transistors (FETs) using two-dimensional (2D) materials, air exposure can degrade the sensitivity. Additionally, due to the decoupling layer, conduction layer migration under drain voltage (V<sub>DS</sub>) changes affects electrical properties. This paper investigates the electrical characteristics of multilayer ReS<sub>2</sub> FETs after surface hexagonal boron nitride (hBN) passivation. Electrical characteristics for channel lengths of 0.30 μm, 1.3 μm, and 3.5 μm were compared to analyze the effects of surface hBN passivation. Passivation was implemented using a standard transfer technique. After hBN passivation, threshold voltage (V<sub>th</sub>) increased and subthreshold swing improved. Additionally, it was observed that when the channel length is short, the variation in electrical properties in response to changes in V<sub>DS</sub> decreases. In the low-frequency noise analysis, a 1/<em>f</em><sup>2</sup> spectrum was observed at 0.30 μm and 1.3 μm before hBN passivation, but this spectrum disappeared after passivation. This indicates that the migration of the conduction layer, which occurs due to V<sub>DS</sub> in short channels, is suppressed after hBN passivation. This study holds significance in understanding the change of electrical characteristics and the movement of conduction channel in 2D materials based on surface properties.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112983"},"PeriodicalIF":4.3,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501887","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Defect-mediated improved electrochemical performance of WO3 incorporated MnS hetero-nanocomposites for supercapacitor electrodes in ionic electrolytes 离子电解质中WO3掺杂MnS异质纳米复合材料对超级电容器电极电化学性能的改善
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-06-25 DOI: 10.1016/j.jpcs.2025.112959
Mizanur Rahaman , Md Khokon Miah , Faysual Kabir , Hossain Hridoy , Afsar Ali , Mehedi Hasan , Probal Roy , Mehedi Hasan Prince , Muhammad Rakibul Islam
{"title":"Defect-mediated improved electrochemical performance of WO3 incorporated MnS hetero-nanocomposites for supercapacitor electrodes in ionic electrolytes","authors":"Mizanur Rahaman ,&nbsp;Md Khokon Miah ,&nbsp;Faysual Kabir ,&nbsp;Hossain Hridoy ,&nbsp;Afsar Ali ,&nbsp;Mehedi Hasan ,&nbsp;Probal Roy ,&nbsp;Mehedi Hasan Prince ,&nbsp;Muhammad Rakibul Islam","doi":"10.1016/j.jpcs.2025.112959","DOIUrl":"10.1016/j.jpcs.2025.112959","url":null,"abstract":"<div><div>Here we report synthesis MnS nanoparticles, WO<sub>3</sub> nanorods, and WO<sub>3</sub> incorporated MnS nanocomposites (MnS/WO<sub>3</sub>) by a low-cost hydrothermal method for aqueous supercapacitor electrodes. The concentration of WO<sub>3</sub> varied sequentially and was optimized to obtain electrodes with improved capacitive performance for supercapacitor applications. The successful production of MnS/WO<sub>3</sub> nanocomposite was confirmed by XRD analysis, SEM images, and HR-TEM investigations. Incorporating WO<sub>3</sub> nanorods generates defects that enhance microstrain and dislocation density and expand the interlayer spacing. In a standard three-electrode setup, the MnS/WO<sub>3</sub> (5 wt%) nanocomposite exhibits outstanding electrochemical performance, reaching a specific capacitance of 263 F/g while the current density is 0.12 A/g. In two electrode configurations, the MnS/WO<sub>3</sub> (5 wt%) composite provides an energy density of 5.85 Whkg<sup>−1</sup> at a power density of 448 wkg<sup>−1</sup> with 86 % capacitive retention after completing 6000 charge-discharge cycles. The density functional theory revealed that the Mn-3d and W-5d orbitals produce defect states in the nanocomposite. Theoretical analysis also showed that the incorporation of WO<sub>3</sub> increases the quantum capacitance from 156 F/g to 293 F/g. The combined experimental and theoretical studies using a cost-effective technique will facilitate the development of new supercapacitor electrodes.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112959"},"PeriodicalIF":4.3,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491934","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of Cu content on the catalytic performance of Cu–Fe-based amorphous alloys fabricated via LPBF Cu含量对LPBF法制备Cu - fe基非晶合金催化性能的影响
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-06-24 DOI: 10.1016/j.jpcs.2025.112975
Baichao Wang , Jia Liu , Yan Shi , Zhengzhe Sun
{"title":"Effect of Cu content on the catalytic performance of Cu–Fe-based amorphous alloys fabricated via LPBF","authors":"Baichao Wang ,&nbsp;Jia Liu ,&nbsp;Yan Shi ,&nbsp;Zhengzhe Sun","doi":"10.1016/j.jpcs.2025.112975","DOIUrl":"10.1016/j.jpcs.2025.112975","url":null,"abstract":"<div><div>With high forming accuracy and material utilization, laser material additive technology provides technical support for <strong>preparing</strong> amorphous alloys with complex structures. In this paper, Cu<sub>x</sub>-Fe-based amorphous alloys were made into amorphous alloy samples by LPBF technology. For the excellent catalytic performance of Cu<sub>x</sub>-Fe-based amorphous alloys, the influence of Cu content on the catalytic performance of Cu<sub>x</sub>-Fe-based amorphous alloys in the amorphous samples prepared by LPBF was systematically investigated under the specific experimental conditions. The results showed that the catalytic degradation efficiency of Cu<sub>x</sub>-Fe-based amorphous alloys for methyl orange dye showed a tendency of first increasing and then decreasing with the increase of Cu content. Among them, the Cu<sub>x</sub>-Fe-based amorphous alloy with 35 % Cu content had the best catalytic degradation performance for methyl orange dye at a concentration of 0.04 g/L. Its degradation efficiency was still as high as 95 % in 40 min after repeated degradation 10 times. The Cu<sub>x</sub>-Fe-based amorphous alloys prepared by LPBF technology have very high catalytic activity, which provides a more effective and economical technical means for wastewater degradation.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112975"},"PeriodicalIF":4.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144481651","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigating the impact of increasing the N2/(Ar+N2) gas flow ratio in the presence of residual oxygen on magnetic properties of reactively sputter-deposited thin films of amorphous Al–O–N alloy 研究了在残余氧存在下增加N2/(Ar+N2)气体流量比对反应溅射沉积非晶Al-O-N合金薄膜磁性能的影响
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-06-24 DOI: 10.1016/j.jpcs.2025.112964
Deena Nath , Sujay Chakravarty , U.P. Deshpande
{"title":"Investigating the impact of increasing the N2/(Ar+N2) gas flow ratio in the presence of residual oxygen on magnetic properties of reactively sputter-deposited thin films of amorphous Al–O–N alloy","authors":"Deena Nath ,&nbsp;Sujay Chakravarty ,&nbsp;U.P. Deshpande","doi":"10.1016/j.jpcs.2025.112964","DOIUrl":"10.1016/j.jpcs.2025.112964","url":null,"abstract":"<div><div>In the present work, we have reported the impact of increasing N<sub>2</sub>/(Ar + N<sub>2</sub>) gas flow ratio in the presence of residual oxygen on the magnetic properties of reactively sputter-deposited thin films of amorphous Al–O–N alloy. Amorphous Al–O–N alloy thin films were deposited via reactive sputtering of an aluminum target in the presence of residual oxygen, using an Ar/N<sub>2</sub> gas mixture with increasing N<sub>2</sub>/(Ar + N<sub>2</sub>) gas flow ratios of 10 %, 20 %, and 50 %, respectively. Microstructural analysis confirms that all three films exhibit amorphous characteristics with short-range ordering. Chemical analysis indicates that a portion of aluminum reacts with nitrogen to form AlN, while the remaining film primarily consists of the Al(NO<sub><em>y</em></sub>)<sub><em>x</em></sub> phase, containing oxygen vacancy (O<sub>V</sub>) sites. At 300 K, all three films display superparamagnetic (SPM) behavior, indicating the presence of nano-scale single-domain magnetic particles. However, an increase in the N<sub>2</sub>/(Ar + N<sub>2</sub>) gas flow ratio systematically enhances both the bulk saturation magnetization and the magnetic volume fraction in the films. This enhancement correlates well with the increased formation of the Al(NO<sub><em>y</em></sub>)<sub><em>x</em></sub> phase containing O<sub>V</sub> sites. These findings suggest that oxygen vacancies within the Al(NO<sub><em>y</em></sub>)<sub><em>x</em></sub> phase play a key role in inducing magnetism in Al–O–N alloy thin films at 300K that can be tailored by manipulating the N<sub>2</sub>/(Ar + N<sub>2</sub>) flow ratios during sputter deposition. Therefore, the present study provides a new insight into tailoring the magnetic properties of amorphous Al-O-N alloy thin films by precisely controlling the deposition conditions, particularly the gas flow ratio in the presence of residual oxygen.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112964"},"PeriodicalIF":4.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144535786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
High Curie temperature and perpendicular magnetic anisotropy in Mn-doped MoSe2 monolayer induced by O and S impurities O和S杂质诱导的mn掺杂MoSe2单层的高居里温度和垂直磁各向异性
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-06-24 DOI: 10.1016/j.jpcs.2025.112920
Nguyen Thi Han , J. Guerrero-Sanchez , D.M. Hoat
{"title":"High Curie temperature and perpendicular magnetic anisotropy in Mn-doped MoSe2 monolayer induced by O and S impurities","authors":"Nguyen Thi Han ,&nbsp;J. Guerrero-Sanchez ,&nbsp;D.M. Hoat","doi":"10.1016/j.jpcs.2025.112920","DOIUrl":"10.1016/j.jpcs.2025.112920","url":null,"abstract":"<div><div>Perpendicular magnetic anisotropy (PMA) and high Curie temperature are essential in two-dimensional (2D) materials for spintronic applications. In this work, we investigate the electronic and magnetic properties of MoSe<sub>2</sub> monolayer under effects of doping with Mn atoms. Pristine MoSe<sub>2</sub> monolayer is a <span><math><mrow><mi>K</mi><mo>−</mo><mi>K</mi></mrow></math></span> direct-gap semiconductor with a band gap of 1.44 eV. Single Mn impurity leads to the emergence of the half-metallicity in MoSe<sub>2</sub> monolayer. 1Mn@MoSe<sub>2</sub> system has a total magnetic moment of 1.00 <span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>B</mi></mrow></msub></math></span>. Its magnetic properties emerge mainly from Mn atom, with small contributions of their neighboring Se and Mo atoms that exhibit antiparallel alignment to Mn. The ferromagnetic semiconductor nature with a total magnetic moment of 2.00 <span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>B</mi></mrow></msub></math></span> and high Curie temperature of 599.59 K is found in 2Mn@MoSe<sub>2</sub> system. Moreover, the calculated magnetic anisotropy energies indicate the in-plane magnetic anisotropy (IMA) of Mn-doped MoSe<sub>2</sub> systems. Further, the IMA-to-PMA switching is achieved by incorporating O and S impurities. In these cases, the ferromagnetic semiconductor nature is preserved, however Curie temperature is reduced to 402.31 and 444.86 K, respectively. In addition, the surface formation energy analysis indicates that the doped and codoped MoSe<sub>2</sub> systems are formed at Mo-poor and Se-poor conditions. Our findings show a way to generate new 2D magnetic materials with perpendicular magnetic anisotropy and high Curie temperature, with great potential to be applied in the spintronics field as part of ultra thin perpendicular magnetic tunnel junctions.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112920"},"PeriodicalIF":4.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491400","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural phase transition in crystalline HgSe: Low-temperature and high-pressure Raman spectroscopic investigation HgSe晶体结构相变:低温高压拉曼光谱研究
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-06-24 DOI: 10.1016/j.jpcs.2025.112977
N. Kumar , Swayam Kesari , S.N. Krylova , Rekha Rao , N.V. Surovtsev , D.V. Ishchenko , S.V. Pryanichnikov , T.E. Govorkova , S.B. Bobin , A.T. Lonchakov , V.A. Golyashov , O.E. Tereshchenko
{"title":"Structural phase transition in crystalline HgSe: Low-temperature and high-pressure Raman spectroscopic investigation","authors":"N. Kumar ,&nbsp;Swayam Kesari ,&nbsp;S.N. Krylova ,&nbsp;Rekha Rao ,&nbsp;N.V. Surovtsev ,&nbsp;D.V. Ishchenko ,&nbsp;S.V. Pryanichnikov ,&nbsp;T.E. Govorkova ,&nbsp;S.B. Bobin ,&nbsp;A.T. Lonchakov ,&nbsp;V.A. Golyashov ,&nbsp;O.E. Tereshchenko","doi":"10.1016/j.jpcs.2025.112977","DOIUrl":"10.1016/j.jpcs.2025.112977","url":null,"abstract":"<div><div>At ambient pressure and temperature, Raman spectroscopy showed A<sub>1</sub>, E and T<sub>2</sub> modes in HgSe which suggested coexistence of zinc blende (zb) and cinnabar (cin) phase. A blue shift of A<sub>1</sub> and E Raman modes was observed with increasing temperature, which was explained by the reduction of lattice constant. Experimental results of Raman spectroscopy were consistent with the DFT calculation, both predicted transition to cin phase at moderate pressure of 1.5–1.8 GPa, and a complete absence of the Raman modes was observed above pressure of 16 GPa, confirming the transformation to the NaCl structure. The pressure-dependent frequency shift, linewidth and Raman intensity was explained by eigenvectors of vibrational symmetry of the modes, anharmonic effect and changes in polarizability.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112977"},"PeriodicalIF":4.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
MoS2 nanoflowers/ppy nanorods composited new architectures added with self-healing 8-hydroxyquinoline in epoxy for protection of mild steel against chloride medium corrosion MoS2纳米花/ppy纳米棒复合新结构,在环氧树脂中加入自修复的8-羟基喹啉,用于保护低碳钢免受氯化物介质的腐蚀
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-06-24 DOI: 10.1016/j.jpcs.2025.112915
Sakshi Khokher, Suman Lata
{"title":"MoS2 nanoflowers/ppy nanorods composited new architectures added with self-healing 8-hydroxyquinoline in epoxy for protection of mild steel against chloride medium corrosion","authors":"Sakshi Khokher,&nbsp;Suman Lata","doi":"10.1016/j.jpcs.2025.112915","DOIUrl":"10.1016/j.jpcs.2025.112915","url":null,"abstract":"<div><div>In this paper, 8-Hydroxyquinone-loaded MoS<sub>2</sub> nanoflowers @ Polypyrrole nanotube (PMSHQ) novel coatings with different weight fractions as 0.25 %, 0.50 %, and 1.0 % blended with epoxy resin were prepared. The self-healing behavior and corrosion protection by the composite PMSHQ with and without the loading of 8-Hydroxyquinone was examined for mild steel coupons in 3.5 % sodium chloride medium. The synthesized composites MoS<sub>2</sub> nanoflowers @ Polypyrrole nanotube and PMSHQ were characterized spectroscopically and morphologically along with the hydrophobicity of the coated surfaces (anti-wettability). The corrosion protection tendency of the composites blended in epoxy against corrosion was evaluated through potentiodynamic polarization and electrochemical impedance spectroscopy where the composite PMSHQ (0.5 %) showed maximum corrosion retardation, 99.998 % after 2h immersion. The study was further extended by immersing the coupons for 5 days, 15 days, and 25 days in the corrodent wherein the variation in corrosion protection behavior with exposure time was analyzed. The coated surface was studied for surface roughness by AFM (atomic force microscopy) and the self-healing of the scratch created was analyzed by FESEM (field emission scanning electron microscopy) before and after immersion in 3.5 % NaCl solution. The sustainable corrosion protection efficiency was 91.23 % even after 25 days.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112915"},"PeriodicalIF":4.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
DFT analysis of Ba2XTaO6 (X = Sm, Er) perovskites: Stability & functional properties Ba2XTaO6 (X = Sm, Er)钙钛矿的DFT分析:稳定性和功能性质
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-06-23 DOI: 10.1016/j.jpcs.2025.112974
Nasir Rahman , Amir Ullah , Ahmed Azzouz-Rached , Mudasser Husain , M.D. Alshahrani , Amani H. Alfaifi , Khamael M. Abualnaja , Wafa Mohammed Almalki , Eman Almutib , Muawya Elhadi , Vineet Tirth , Rajwali Khan
{"title":"DFT analysis of Ba2XTaO6 (X = Sm, Er) perovskites: Stability & functional properties","authors":"Nasir Rahman ,&nbsp;Amir Ullah ,&nbsp;Ahmed Azzouz-Rached ,&nbsp;Mudasser Husain ,&nbsp;M.D. Alshahrani ,&nbsp;Amani H. Alfaifi ,&nbsp;Khamael M. Abualnaja ,&nbsp;Wafa Mohammed Almalki ,&nbsp;Eman Almutib ,&nbsp;Muawya Elhadi ,&nbsp;Vineet Tirth ,&nbsp;Rajwali Khan","doi":"10.1016/j.jpcs.2025.112974","DOIUrl":"10.1016/j.jpcs.2025.112974","url":null,"abstract":"<div><div>In this article, the structural, phonon, electronic, optical, magnetic, elastic and thermal properties of the double perovskites Ba<sub>2</sub>XTaO<sub>6</sub> (X = Sm or Er) are studied using density functional theory (DFT) within the WIEN2k. According to the structural data, both compounds crystallize in a stable cubic phase with optimized lattice parameters of 8.70 Å for Ba<sub>2</sub>SmTaO<sub>6</sub> and 8.49 Å for Ba<sub>2</sub>ErTaO<sub>6</sub> in the ferromagnetic (FM) state. Phonon dispersion calculations confirm that both compounds are dynamically stable and can therefore be experimentally synthesized. Band-structure calculations reveal that, Ba<sub>2</sub>SmTaO<sub>6</sub> has a wide-bandgap semiconductor having bandgap values of 2.8 eV (PBE), 3.6 eV (PBE + mBJ), and 2.87 eV (PBE + U), while Ba<sub>2</sub>ErTaO<sub>6</sub> behaves as an insulator. Optical properties reveal a great index of refraction and profound absorption in the ultraviolet region, indicating their usefulness in optoelectronic applications. Magnetic studies yield total magnetic moments of 5.00 μB for Ba<sub>2</sub>SmTaO<sub>6</sub> and 3.00 μB for Ba<sub>2</sub>ErTaO<sub>6</sub>, deriving primarily from the rare-earth ions. The assessment of the elastic property confirms their mechanical stability, with bulk moduli of 117 GPa for Ba<sub>2</sub>SmTaO<sub>6</sub> and 145 GPa for Ba<sub>2</sub>ErTaO<sub>6</sub>, reinforcing their structural strength. This study lends credence to prospecting possibilities of these materials in application to optoelectronics, spintronics, and high-temperature environments.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112974"},"PeriodicalIF":4.3,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Remark on Hansa Devi et al.: “Electronic and high pressure elastic properties of RECd and REHg (RE = Sc, La, and Yb) intermetallic compounds” [J. Phys. Chem. Solid. 76 (2015) 70–81] 对Hansa Devi等人:“RECd和REHg (RE = Sc, La和Yb)金属间化合物的电子和高压弹性性能”的评论[J]。理论物理。化学。固体。76 (2015)70-81]
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-06-23 DOI: 10.1016/j.jpcs.2025.112973
Dheerendra Singh Yadav
{"title":"Remark on Hansa Devi et al.: “Electronic and high pressure elastic properties of RECd and REHg (RE = Sc, La, and Yb) intermetallic compounds” [J. Phys. Chem. Solid. 76 (2015) 70–81]","authors":"Dheerendra Singh Yadav","doi":"10.1016/j.jpcs.2025.112973","DOIUrl":"10.1016/j.jpcs.2025.112973","url":null,"abstract":"<div><div>In the present study, we comment on the article previously published by Hansa Devi et al. in the Journal of Physics and Chemistry of Solids 76 (2015) 70–81. After reviewing their article deeply, we found some imperfections numerically on a very large scale in their theoretical evidence of crystal density (ρ), longitudinal (V<sub>l</sub>), transverse (V<sub>t</sub>), average acoustic wave velocities (V<sub>m</sub>) and hence of the Debye temperature (ϴ<sub>D</sub>) data for binary intermetallic compounds. Due to these perturbations, Hansa Devi et el (Hansa et al., 2015) [1]. give me attention for improving their work. Therefore, we have proposed to improve their work carefully on eliminating the numerical errors in such parameter by re-computing all data again by employing the correct formula depends upon the lattice constant and stiffness constants (C<sub>ij</sub>: C<sub>11</sub>, C<sub>12</sub>, C<sub>44</sub>) in their publication (Hansa et al., 2015) [1].</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112973"},"PeriodicalIF":4.3,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144517013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Resistance dynamics in a solar cell with novel lead-free perovskite absorbers (LiMgI3 and NaMgI3): Performance optimization using SCAPS-1D simulation and impedance spectroscopy 具有新型无铅钙钛矿吸收剂(LiMgI3和NaMgI3)的太阳能电池的电阻动力学:使用SCAPS-1D模拟和阻抗谱进行性能优化
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-06-23 DOI: 10.1016/j.jpcs.2025.112972
Nabil Bouri , Tesfaye Abebe Geleta , Kefyalew Wagari Guji , Abdellah Hammad , Selma Rabhi , Khalid Nouneh
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