Journal of Physics: Condensed Matter最新文献_第6页

Strain-tunable electronic properties of 2D-B9: a borophene allotrope with mechanical flexibility.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-27 DOI: 10.1088/1361-648X/adbecd

Qian Gao, Zhenpeng Hu, Lan Chen

{"title":"Strain-tunable electronic properties of 2D-B9: a borophene allotrope with mechanical flexibility.","authors":"Qian Gao, Zhenpeng Hu, Lan Chen","doi":"10.1088/1361-648X/adbecd","DOIUrl":"10.1088/1361-648X/adbecd","url":null,"abstract":"In this work, we explore the structural, mechanical, and electronic properties of 2D-B9, a borophene allotrope with a unique bonding structure and promising potential for strain engineering. Through first-principles calculations, we investigate the material's stability, revealing a robust phonon spectrum and favorable mechanical flexibility, including isotropic behavior and a moderate Young's modulus. The electronic structure of 2D-B9 features key characteristics such as a van Hove singularity (vHS) and a Dirac point, which can be dynamically tuned via strain. Under tensile strain, the vHS shifts downward, while compressive strain causes it to rise, with the vHS aligning with the Fermi level at 10% compression. This strain-induced tuning of the electronic structure is further confirmed by examining changes in Fermi velocity, which is found to be similar to that of graphene at 9 × 105m s-1, indicating high electronic mobility. These results highlight the potential of 2D-B9 for applications in flexible electronics, quantum devices, and other technologies where strain-sensitive electronic properties are essential.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143597242","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

A review of progress in theoretical modeling of polarization dynamics in ferroelectric materials.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-27 DOI: 10.1088/1361-648X/adbecc

Haohua Wen, Jianyi Liu, Jinhong Li, Bowen Li, Weijin Chen, Yue Zheng

{"title":"A review of progress in theoretical modeling of polarization dynamics in ferroelectric materials.","authors":"Haohua Wen, Jianyi Liu, Jinhong Li, Bowen Li, Weijin Chen, Yue Zheng","doi":"10.1088/1361-648X/adbecc","DOIUrl":"10.1088/1361-648X/adbecc","url":null,"abstract":"Ferroelectric materials are considered candidates for functional device application since their discovery in 1920. The functionality is realized by polarization evolution itself or the resulting effects. Studies on ferroelectrics have been going on over a century with a rough journey, because they have the excellent physical properties and also the fatal disadvantages for the device applications, where polarization microstructure and the dynamics are always the core issues. The demand for miniaturization, low energy consumption, and intelligence of devices leads to the advancement of the studies on the polarization microstructure and dynamics towards microscopic and ultrafast scales, as well as precise manipulation. This review mainly focuses on the inherent logic of the development of the theoretical modeling on the polarization dynamics. We would like to discuss the historical background of the development of theoretical models and their limitations, following the historical trajectory how to understand the multiscale nature of polarization microstructure and dynamics and the developing demand of functional devices applications, based on which the prospect and future development direction of theoretical modeling are proposed.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143597154","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

Multiferroicity and phase diagram of ferro-rotational magnet RbFe(SO₄)₂.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-27 DOI: 10.1088/1361-648X/adc064

Junjie Yang, Dimuthu Obeysekera, William Ratcliff, Lu Li, Sabine N Neal, Janice L Musfeldt, Shinichiro Yano

引用次数: 0

Magnetic disorder induced Hall conductance fluctuation in the semi-magnetic topological insulator thin film.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-27 DOI: 10.1088/1361-648X/adc0d9

Xiao-Xia Yi, Rui Chen, Bin Zhou

引用次数: 0

EXPLORING THE INTERACTIONS OF ZDDP ADDITIVE WITH HEMATITE SURFACES: A DFT+U STUDY.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-26 DOI: 10.1088/1361-648X/adc5c2

Davide Sarpa, David Daniel O'Regan, Vasilios Bakolas, Joanna Procelewska, Joerg Franke, Philipp Rödel, Marcus Wolf, Chris-Kriton Skylaris

{"title":"EXPLORING THE INTERACTIONS OF ZDDP ADDITIVE WITH HEMATITE SURFACES: A DFT+U STUDY.","authors":"Davide Sarpa, David Daniel O'Regan, Vasilios Bakolas, Joanna Procelewska, Joerg Franke, Philipp Rödel, Marcus Wolf, Chris-Kriton Skylaris","doi":"10.1088/1361-648X/adc5c2","DOIUrl":"https://doi.org/10.1088/1361-648X/adc5c2","url":null,"abstract":"The class of zinc dialkyldithiophosphates (ZDDPs) has been the most widely used anti-wear additiveclass in the automotive industry for over 60 years, yet the pathway to the generation of the protectivetribofilm remains elusive. In this context, density functional theory (DFT) can be utilized to investigatethe interactions between ZDDPs and materials surfaces. We employed DFT+U calculations toexamine the electronic structure of bulk hematite and three relevant (0001) surface terminations:Fe-O-Fe, O-Fe-Fe, and HO-Fe-Fe. Our results demonstrate that, while the Fe-O-Fe and HO-Fe-Feslabs are insulating, the O-Fe-Fe terminated slab is metallic due to the formation of surface statesfrom O dangling bonds. Additionally, we found that ZDDP binds more strongly on the Fe-O-Feslab, leading to changes in ZDDP geometry and atomic charges. Minimal changes are observedwhen bound to the other surfaces. We have provided an in-depth study of the electronic structures ofhematite and its surfaces and their interaction with ZDDP. The new insights from this work provide anew path that can be used to understand the decomposition pathways of ZDDPs on metallic surfaces.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143730563","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

Atomic and electronic structure of vicinal Ag(977) surface.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-25 DOI: 10.1088/1361-648X/adc0d8

Clóvis Guerim Vieira, Matheus F S Barbosa, Rosa M C Marques, Willians P Fernandes, Diogo D Dos Reis, Vagner E de Carvalho, Roberto Paniago, Wendell S E Silva, Wolfgang Moritz, Walber H Brito, Edmar A Soares

{"title":"Atomic and electronic structure of vicinal Ag(977) surface.","authors":"Clóvis Guerim Vieira, Matheus F S Barbosa, Rosa M C Marques, Willians P Fernandes, Diogo D Dos Reis, Vagner E de Carvalho, Roberto Paniago, Wendell S E Silva, Wolfgang Moritz, Walber H Brito, Edmar A Soares","doi":"10.1088/1361-648X/adc0d8","DOIUrl":"10.1088/1361-648X/adc0d8","url":null,"abstract":"We conducted a detailed experimental investigation of the Ag(977) vicinal surface, a high Miller index surface derived from the (111) surface. The sample surface was prepared using standard methodology and its quality was examined by x-ray photoelectron spectroscopy, low energy electron diffraction (LEED) and scanning tunneling microscopy. I(V)-LEED analysis was used to determine the surface structure focusing the intricate relaxation dynamics expected for this surface. Our LEED analysis revealed an inward relaxation for the step chain (SC) atoms, whereas the corner atoms (CC) relaxed outwards. To gain more information on the obtained relaxations, we also performed density functional theory (DFT) calculations for the constructed structural model. Through charge distribution analysis, we found out that the step atoms interact weakly with their adjacent counterparts, resulting in terrace atoms presenting electronic environment similar to those found on flat surfaces. Furthermore, we conducted angle-resolved photoemission spectroscopy (ARPES) measurements to map the electronic structure of the surface. The DFT calculations and ARPES results have shown that the electronic bands observed arise from the hybridization between bulk and surface electronic states.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143630586","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

Emergence of a metallic surface state for narrow bandgap Mott insulator Sr₃Ir₂O₇(001) thin films.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-25 DOI: 10.1088/1361-648X/adbecf

Takashi Komesu, Yuanyuan Zhang, Shiv Kumar, Amit Kumar, Yudai Miyai, Kenya Shimada, Peace Ikeoluwa Adegbite, Xia Hong, P A Dowben

{"title":"Emergence of a metallic surface state for narrow bandgap Mott insulator Sr3Ir2O7(001) thin films.","authors":"Takashi Komesu, Yuanyuan Zhang, Shiv Kumar, Amit Kumar, Yudai Miyai, Kenya Shimada, Peace Ikeoluwa Adegbite, Xia Hong, P A Dowben","doi":"10.1088/1361-648X/adbecf","DOIUrl":"10.1088/1361-648X/adbecf","url":null,"abstract":"We report evidence of a finite density of states at the Fermi level at the surface of epitaxial thin films of the narrow bandgap Mott insulator Sr3Ir2O7(001). The Brillouin zone critical points for Sr3Ir2O7(001) thin films have been determined by a comparison of the band mapping from angle-resolved photoemission spectroscopy and low energy electron diffraction. Angle-resolved x-ray photoemission studies reveal the surface termination of Sr3Ir2O7(001) is Sr-O. The absence of dispersion with photon energy, or changing wave vector along the surface normal, indicates the two-dimensional character of the bands contributing to the density of states close to the Fermi level for Sr3Ir2O7(001) thin films. Thus, the finite density of states at the Fermi level is attributed to surface states or surface resonances. The appearance of a finite density of states at the Fermi level is consistent with the increased conductivity with decreasing film thickness for ultrathin Sr3Ir2O7(001) films.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143597157","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

Symmetry-adapted models for the hyperpolarizability of water.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-25 DOI: 10.1088/1361-648X/adbfec

Ryan Elwood-Clarke, David M Wilkins

引用次数: 0

Superconductivity in metal sulfides.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-21 DOI: 10.1088/1361-648X/adbe1c

Wei Zhong, He Zhang, Fang Hong, Binbin Yue

{"title":"Superconductivity in metal sulfides.","authors":"Wei Zhong, He Zhang, Fang Hong, Binbin Yue","doi":"10.1088/1361-648X/adbe1c","DOIUrl":"10.1088/1361-648X/adbe1c","url":null,"abstract":"The exploration of high-temperature superconductors and the mechanisms underlying superconductivity continues to present significant challenges in condensed matter physics. Identifying new potential superconducting (SC) platforms is critical for advancing our understanding of superconductivity and its interactions with other quantum states. Metal sulfides constitute a diverse family of materials that exhibit unique physical properties, with crystal structures that can be tailored from one-dimensional (1D) to three-dimensional (3D) by varying the metal-to-sulfur ratio. Recent investigations into the superconductivity of metal sulfides have revealed extraordinary quantum phenomena, including chiral superconductivity, two-dimensional (2D) Ising superconductivity, and the competition between charge density waves and superconductivity. Furthermore, pressure tuning-a refined technique for modifying electronic and crystal structures without introducing impurities-has facilitated the emergence of superconductivity in various semiconducting and even insulating metal sulfides. In this review, we summarize and analyze the rich SC properties of metal sulfides, encompassing 3D metal monosulfides, 2D metal disulfides, and quasi-1D transition metal trisulfides. We also discuss additional systems, including hydrogen sulfides, Th3P4-type sulfides, and Bi-S systems. Collectively, these findings underscore that metal sulfides not only represent promising SC materials but also serve as excellent platforms for further investigation into the mechanisms of superconductivity.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143586113","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

Magnetic structure of Mn₂GaC thin film by neutron scattering.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-21 DOI: 10.1088/1361-648X/adbece

Quanzheng Tao, Aurelija Mockute, Fabio Orlandi, Dmitry Khalyavin, Pascal Manuel, Gunnar Palsson, Bachir Ouladdiaf, Johanna Rosen, Andrew T Boothroyd

引用次数: 0