Journal of Physics: Condensed Matter最新文献

Soft and responsive: rheological insights into PNIPAM based microgels and applications. 柔软和响应：基于PNIPAM的微凝胶和应用的流变学见解。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-05-29 DOI: 10.1088/1361-648X/adbb9a

Silvia Franco, Barbara Ruzicka, Roberta Angelini

引用次数: 0

The effect of impurities and radiation damage on the glass network-caesium loaded iron phosphate molecular dynamics case study. 杂质和辐射损伤对玻璃网络的影响——载铯磷酸铁分子动力学实例研究。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-05-28 DOI: 10.1088/1361-648X/adda83

C Cockrell, K Joseph, M K Patel, K Trachenko, R W Grimes

{"title":"The effect of impurities and radiation damage on the glass network-caesium loaded iron phosphate molecular dynamics case study.","authors":"C Cockrell, K Joseph, M K Patel, K Trachenko, R W Grimes","doi":"10.1088/1361-648X/adda83","DOIUrl":"10.1088/1361-648X/adda83","url":null,"abstract":"The use of iron phosphate glass as a wasteform is contingent both on its response to the addition of waste products and on its evolution in response to radiation emitted by these waste products. We perform molecular dynamics simulations of high-energy radiation damage in caesium iron phosphate glasses to study the mobility of caesium, a nuclear decay product, in vitreous wasteforms and their effect on the glass network. We simulate overlapping 70 keV cascades and examine the structural and topological effects that caesium has on the iron phosphate glasses before and after these cascades. We find that the glass network is substantially altered by the presence of caesium as a potent network modifier and that radiation cascades produce qualitatively different effects from those in pure iron phosphate glasses. Overlapping cascades produce minimal effects on the mobility of caesium at low loading. At higher loading, the glass network accommodates caesium atoms less well, particularly after irradiation. We explain this in terms of caesium's role as an excluded network modifier in comparison to iron, which is tightly incorporated into the glass network.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144102284","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ionic liquid gating-induced defect passivation and enhanced photocatalytic performance in graphitic carbon nitride (g-C₃N₄) semiconductors. 离子液体栅致缺陷钝化及增强石墨氮化碳（g-C₃N₄）半导体的光催化性能

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-05-27 DOI: 10.1088/1361-648X/add6fd

Na Sa, Shanzhi Qu, Jinfeng Xu, Kaiqi Nie, Jia-Ou Wang, Junyong Kang, Jin-Cheng Zheng, Meng Wu, Shengli Huang, Hui-Qiong Wang

{"title":"Ionic liquid gating-induced defect passivation and enhanced photocatalytic performance in graphitic carbon nitride (g-C3N4) semiconductors.","authors":"Na Sa, Shanzhi Qu, Jinfeng Xu, Kaiqi Nie, Jia-Ou Wang, Junyong Kang, Jin-Cheng Zheng, Meng Wu, Shengli Huang, Hui-Qiong Wang","doi":"10.1088/1361-648X/add6fd","DOIUrl":"10.1088/1361-648X/add6fd","url":null,"abstract":"Ionic liquid gating (ILG) is an emergent technique for controlling multiple types of ionic doping and leads to numerous attractive physical properties in quantum materials. This study widens its intriguing applications in metal-free graphitic carbon nitride (g-C3N4) semiconductor which is distinct by various extrinsic defects (vacancies, interlayer defects, etc) and intrinsic defects (irregular melon chains, dangling bonds, etc.). Here, the efficient passivation of defects is realized in g-C3N4through combined electrostatic and electrochemical mechanisms. By optimizing the ionic liquid concentration and applying a negative electric field, the gated g-C3N4exhibit a changed local bonding environment, an increased bandgap, as well as a suppression of photoluminescence (PL) intensity over 80%. Our results demonstrate that the charged ions from the mixed electrolyte passivate the charged defect centers, redistribute the charges within the g-C3N4framework, leading to the improved photogenerated carries separation, which is verified by the enhanced photocatalytic efficiency of treated g-C3N4. In particular, the changes of the density of states near the Fermi level reflect ionic interaction induced defect passivation in g-C3N4, which plays a key role in regulating its PL properties. These findings provide novel insights in ILG mechanisms in layered porous materials and shed light on its potential prospects in other semiconductors with controlled defect engineering.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144005944","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Transport in extended Kitaev chain with time reversal symmetry breaking and long-range interaction. 具有时间反转对称性破缺和远程相互作用的扩展Kitaev链中的输运。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-05-27 DOI: 10.1088/1361-648X/adda84

Averi Banerjee, Syeda Rafisa Rahaman, Nilanjan Bondyopadhaya

引用次数: 0

The kagome Heisenberg antiferromagnet YCu₃(OH)_6.5Br_2.5: a review. kagome Heisenberg反铁磁体YCu3(OH)6.5Br2.5的研究进展

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-05-27 DOI: 10.1088/1361-648X/add9dc

Xun Chen, Haijun Liao, Yuesheng Li

引用次数: 0

Mode-resolved transmission functions: an individual Caroli formula. 模式解析传输函数：单个卡罗里公式。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-05-27 DOI: 10.1088/1361-648X/add3ea

Hocine Boumrar, Hand Zenia, Mahdi Hamidi

{"title":"Mode-resolved transmission functions: an individual Caroli formula.","authors":"Hocine Boumrar, Hand Zenia, Mahdi Hamidi","doi":"10.1088/1361-648X/add3ea","DOIUrl":"10.1088/1361-648X/add3ea","url":null,"abstract":"Efficient manipulation of energy at the nanoscale is crucial for advancements in modern computing, energy harvesting, and thermal management. Specifically, controlling quasiparticle currents is critical to these ongoing technological revolutions. This work introduces a novel and physically consistent approach for computing polarization-resolved transmission functions, a crucial element in understanding and controlling energy transport across interfaces. We show that this new method, unlike several previously derived formulations, consistently yields physically meaningful results by addressing the origin of unphysical behavior in other methods. We demonstrate that while multiple decompositions of the transmission function are possible, only there is a unique and unambiguous route to obtaining physically meaningful results. We highlight and critique the arbitrary nature of these alternative decompositions and their associated failures. While developed within the framework of phonon transport, the individual Caroli formula is general and applicable to other fermionic and bosonic quasiparticles, including electrons, and to internal degrees of freedom such as spin and orbital polarization. Through a comparative analysis using a simple model system, we validate the accuracy and reliability of the individual Caroli formula in capturing polarization-specific transmission properties. This new method provides a more accurate understanding of both phonon and electron transport, offering novel ways for optimization of thermoelectric devices and energy-efficient computing technologies.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143968504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exciton dynamics and binding energy relation in crystal-cocrystal system. 晶体-共晶系统中的激子动力学与结合能关系。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-05-27 DOI: 10.1088/1361-648X/add3a7

Saji Chandran, Krishna B Kurup, Sunil Raj R, Sankaran Nampoothiri V, Lynnette Joseph

{"title":"Exciton dynamics and binding energy relation in crystal-cocrystal system.","authors":"Saji Chandran, Krishna B Kurup, Sunil Raj R, Sankaran Nampoothiri V, Lynnette Joseph","doi":"10.1088/1361-648X/add3a7","DOIUrl":"10.1088/1361-648X/add3a7","url":null,"abstract":"This study presents a theoretical exploration of light-matter interaction in crystal (CuCl24-aminoacetophenone) and cocrystal (CuCl24-aminoacetophenone 1,4-diiodotetraflourobenzene) systems using the density functional theory approach. The findings not only identify realistic charge transfer (CT) channels within these systems but also reveal their implications for the field of materials science. The natural bond orbital analysis on the molecules shows that the copper atoms produce lone pair interactions and constructπ-conjugated pathways with ligands. Density of states analysis reveals that compared to the parent crystal, the cocrystal accumulates more electronic states. The exciton descriptors likeDindex,Hindex, Sr,tindex, hole delocalization index, and electron delocalization index were used to study the exciton dynamics. Both compounds have CT and local excitation (LE) character, and CT is dominant over LE. The descriptor values revealed how strong or weak the exciton pair is regarding binding energy. The binding energy strength is illustrated with exciton descriptor indexes and a graphical overlap integral. It is evident that as the excitation states increase, the binding energy of the exciton gradually decreases. After the excitation process, the e-h delocalization spreads within the molecular unit, validating the theoretical coexistence of Frenkel-CT excitons with a radius of a few angstroms (Å) and an immense binding energy.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143999886","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Interplanar magnetic exchange in CoPS₃. CoPS3的面间磁交换。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-05-23 DOI: 10.1088/1361-648X/add82e

A R Wildes, B Fåk, U B Hansen, A Ivanov, M Enderle, L Puertas Peláez

引用次数: 0

Locking of magnetic moment precession in a nanomagnet coupled to a Josephson junction under external radiation. 外辐射下与约瑟夫森结耦合的纳米磁体中磁矩进动的锁定。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-05-22 DOI: 10.1088/1361-648X/add97d

M Sameh, Yu M Shukrinov, A Y Ellithi, Th M El-Sherbini, M Nashaat

引用次数: 0

An unexpectedly shrunken bandgap in V₂O₅nanoparticles. V2O5纳米粒子带隙意外缩小。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-05-22 DOI: 10.1088/1361-648X/add63c

E L Anquillare, F Yang, L Kao, X Feng, V Altoe, V Jovic, D Goodacre, Y Liu, L H Doerrer, J Guo, K E Smith

{"title":"An unexpectedly shrunken bandgap in V2O5nanoparticles.","authors":"E L Anquillare, F Yang, L Kao, X Feng, V Altoe, V Jovic, D Goodacre, Y Liu, L H Doerrer, J Guo, K E Smith","doi":"10.1088/1361-648X/add63c","DOIUrl":"10.1088/1361-648X/add63c","url":null,"abstract":"Synchrotron x-ray spectroscopy was employed to determine the effects of nanostructuring on electronic band structure in V2O5, a promising cathode material and widely used catalyst. V2O5nanoparticle and bulk powders were characterized via P-XRD, electron microscopy, and diffuse reflectance ultraviolet/visible/near-infrared spectroscopy to confirm the optical bandgap. X-ray emission spectroscopy revealed the nanoparticle valence band O 2pstates to be upshifted relative to the bulk, while x-ray absorption spectroscopy and resonant inelastic x-ray scattering showed the lowest V 3dconduction band states to be static. Together, these changes (in conjunction with an increased density of unoccupied lower conduction band states) produce a shrunken bandgap in the V2O5nanoparticles that defies the Burstein-Moss effect. Changes in nanoparticle band structure are generally attributed to oxygen vacancy defects. While nanostructure bandgap reduction is in line with much previous computational work, it is unexpected from most previous experimental results. To our knowledge, this is the first synchrotron x-ray spectroscopy study of a shrunken bandgap achieved in pure V2O5nanoparticles.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144064058","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0