Journal of Physics: Condensed Matter最新文献_第9页

Peering into interfaces in perovskite solar cells: a first-principles perspective. 观察钙钛矿太阳能电池的界面：第一性原理视角。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-05 DOI: 10.1088/1361-648X/adb9ad

Xu-Tong Liu, Jinshan Li, Xie Zhang

{"title":"Peering into interfaces in perovskite solar cells: a first-principles perspective.","authors":"Xu-Tong Liu, Jinshan Li, Xie Zhang","doi":"10.1088/1361-648X/adb9ad","DOIUrl":"10.1088/1361-648X/adb9ad","url":null,"abstract":"Over the past decade, perovskite solar cells (PSCs) have experienced a rapid development. The remarkable increase in the photoelectric conversion efficiency demonstrates great promise of halide perovskites in the field of photovoltaics. Despite the excellent photovoltaic performance, further efforts are needed to enhance efficiency and stability. Interfacial engineering plays a crucial role in enhancing the efficiency and stability of PSCs, enabling champion cells to sustain a power conversion efficiency above 26% for over 1000 h. As a powerful theoretical tool for characterizing interfaces in PSCs, first-principles calculations have contributed to understanding interfacial properties and guiding the materials design. In this Perspective, we highlight the recent progress in theoretically profiling the interfaces between halide perovskites and other materials, focusing on the effects of energy band alignment and electronic structure on the carrier transport at the interfaces. These first-principles calculations help to reveal the atomic and electronic properties of the interfaces, and to provide important theoretical guidance for experimental research and device optimization. We also analyze potential strategies to enhance carrier separation and transport in PSCs, and discuss the challenges in accurate modeling interfaces in PSCs, which will help to understand the fundamental physics of interfaces in PSCs and to guide their further optimization.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143492500","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

Role of anisotropic confining potential and elliptical driving in dynamics of a Ge hole qubit. 各向异性约束势和椭圆驱动在Ge空穴量子比特动力学中的作用。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-04 DOI: 10.1088/1361-648X/adb927

Bashab Dey, John Schliemann

{"title":"Role of anisotropic confining potential and elliptical driving in dynamics of a Ge hole qubit.","authors":"Bashab Dey, John Schliemann","doi":"10.1088/1361-648X/adb927","DOIUrl":"10.1088/1361-648X/adb927","url":null,"abstract":"The squeezing of a Ge planar quantum dot enhances the Rabi frequency of electric dipole spin resonance by several orders of magnitude due to a strong Direct Rashba spin-orbit interaction in such geometries (Boscoet al2021Phys. Rev.B104115425). We investigate the geometric effect of an elliptical (squeezed) confinement and its interplay with the polarization of driving field in determining the Rabi frequency of a heavy-hole qubit in a planar Ge quantum dot. To calculate the Rabi frequency, we consider only thep-linear SOIs viz. electron-like Rashba, hole-like Rashba and hole-like Dresselhaus which are claimed to be the dominant ones by recent studies on planar Ge heterostructures. We derive approximate analytical expressions of the Rabi frequency using a Schrieffer-Wolff transformation for small SOI and driving strengths. Firstly, for an out-of-plane magnetic field with magnitudeB, we get an operating region with respect toB, squeezing and polarization parameters where the qubit can be operated to obtain 'clean' Rabi flips. On and close to the boundaries of the region, the higher orbital levels strongly interfere with the two-level qubit subspace and destroy the Rabi oscillations, thereby putting a limitation on squeezing of the confinement. The Rabi frequency shows different behaviour for electron-like and hole-like Rashba SOIs. It vanishes for right (left) circular polarization in presence of purely electron-like (hole-like) Rashba SOI in a circular confinement. For both in- and out-of-plane magnetic fields, higher Rabi frequencies are achieved for squeezed configurations when the ellipses of polarization and the confinement equipotential have their major axes aligned but with different eccentricities. We also deduce a simple formula to calculate the effective heavy hole mass by measuring the Rabi frequencies using this setup.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143472501","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

Fundamental physical constants, operation of physical phenomena and entropy increase. 基本物理常数，物理现象的操作和熵的增加。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-04 DOI: 10.1088/1361-648X/adb9ae

K Trachenko

{"title":"Fundamental physical constants, operation of physical phenomena and entropy increase.","authors":"K Trachenko","doi":"10.1088/1361-648X/adb9ae","DOIUrl":"10.1088/1361-648X/adb9ae","url":null,"abstract":"Approaching the problem of understanding fundamental physical constants (FPCs) started with discussing the role these constants play in high-energy nuclear physics and astrophysics. Condensed matter physics was relatively unexplored in this regard. More recently, it was realised that FPCs set lower or upper bounds on key condensed matter properties. Here, we discuss a much wider role played by FPCs in condensed matter physics: at given environmental conditions, FPCs set the observability and operation of entire physical effects and phenomena. We discuss structural and superconducting phase transitions and transitions between different states of matter, with implications for life processes. We also discuss metastable states, transitions between them, chemical reactions and their products. A byproduct of this discussion is that the order of magnitude of the transition temperature can be calculated from FPCs only. We show that the new states emerging as a result of various transitions increase the phase space and entropy. Were FPCs to take different values, these transitions would become inoperative at our environmental conditions and the new states due to these transitions would not emerge. This suggests that the current values of FPCs, by enabling various transitions and reactions which give rise to new states, promote entropy increase. Based on this entropy increase and the associated increase of statistical probability, we conjecture that entropy increase is a selection principle for FPCs considered to be variable in earlier discussions.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143492499","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

Photoemission spectroscopy andab-initiosimulation of CrFeVGa and CoFeVSb: a comparative study. CrFeVGa和CoFeVSb的光发射光谱及模拟比较研究。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-04 DOI: 10.1088/1361-648X/adb925

Jadupati Nag, Kritika Vijay, Barnabha Bandyopadhyay, Soma Banik, Aftab Alam, K G Suresh

{"title":"Photoemission spectroscopy andab-initiosimulation of CrFeVGa and CoFeVSb: a comparative study.","authors":"Jadupati Nag, Kritika Vijay, Barnabha Bandyopadhyay, Soma Banik, Aftab Alam, K G Suresh","doi":"10.1088/1361-648X/adb925","DOIUrl":"10.1088/1361-648X/adb925","url":null,"abstract":"We present a comprehensive photoemission study of two Vanadium-based quaternary Heusler alloys, CrFeVGa and CoFeVSb, which are highly promising candidates for spintronics and topological quantum applications. CrFeVGa exhibits large anomalous Hall conductivity due to the large Berry curvature originating from its non-trivial topological bands. In contrast, CoFeVSb displays a spin-valve-like behavior alongside excellent thermoelectric properties, such as ultra-low thermal conductivity and high power factor at room temperature. By utilizing synchrotron x-ray photoemission spectroscopy and resonant photoemission spectroscopy, we have investigated the core levels and valence band of both the alloys. Our analysis shows that the V 3dstates are primarily responsible for the electronic states at the Fermi level which result in the high spin polarization, consistent with our theoretical predictions. The presence of the Fermi edge in the valence band spectra in both the systems confirms the predicted metallic or half/semi-metallic features. The observed spectra match qualitatively with our simulated partial density of states. A close inspection of the temperature dependent valence band spectra indicates that some of the intriguing bulk properties reported earlier on these two systems are intimately connected with their unique band structure topology. This in turn facilitate a deeper insight into the origin of such interesting properties of these alloys. Such direct measurements of electronic structure provide a guiding platform towards a better understanding of the anomalous properties of any material in general.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143472499","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

Spectroscopy ofd-wave superconductors using DNA as a probing tip. 用DNA作为探测尖端的d波超导体光谱学。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-03 DOI: 10.1088/1361-648X/adb8b4

Y Takagaki

{"title":"Spectroscopy ofd-wave superconductors using DNA as a probing tip.","authors":"Y Takagaki","doi":"10.1088/1361-648X/adb8b4","DOIUrl":"10.1088/1361-648X/adb8b4","url":null,"abstract":"Andreev reflection in DNA molecules terminated by ad-wave superconductor is investigated for demonstrating advantages in using DNA as the probe for the spectroscopy of the superconductor. DNA molecules are incorporated in the simulations using a two-leg ladder model with a simplification as constructed by homopolymers. The increase of the Andreev reflection probability at zero bias originating from the midgap surface states ofd-wave superconductors appears even when the DNA molecule is coupled strongly. The zero-bias peak is enhanced by orders of magnitude when the coupling is weakened. The one-dimensional transport in DNA strands gives rise to the remarkable sensitivity in the spectroscopy, where the changes of the reflection probability caused by the midgap states are also in orders of magnitude when the voltage bias is varied and when the orientation of thed-wave symmetry is inclined with respect to the superconductor surface. The quantum interference of the transport between the two strands in DNA modifies the zero-bias increase. A narrow dip occurs at zero bias with a plateau sandwiched by two peaks in the immediate vicinity of the zero bias. The characteristics of these transmission resonances are dependent on the parameters describing the model molecules, and so the width of the resonance peaks, for instance, enables us to evaluate the strength of the inter-strand coupling.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143468340","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

Presence of enhanced Pauli spin response and 6 eV plasmonic excitation in Ni metal. 镍金属中泡利自旋响应增强和6ev等离子体激发的存在。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-03 DOI: 10.1088/1361-648X/adb8b3

Shivani Bhardwaj, Antik Sihi, Sudhir K Pandey

{"title":"Presence of enhanced Pauli spin response and 6 eV plasmonic excitation in Ni metal.","authors":"Shivani Bhardwaj, Antik Sihi, Sudhir K Pandey","doi":"10.1088/1361-648X/adb8b3","DOIUrl":"10.1088/1361-648X/adb8b3","url":null,"abstract":"We revisit the electronic structure of Nickel (Ni) using the density functional theory (DFT) and dynamical mean-field theory (DMFT) for the theoretical description of its electronic structure properties along with finite-temperature magnetism. Our study provides a comprehensive account of electronic and magnetic properties with the same set of Coulomb interaction parameters,U= 5.78 eV andJ= 1.1 eV calculated using first-principles approach. The nature of theoretical magnetization curves obtained from DFT and DFT + DMFT as well as the experimental curve show deviation from the standard models of magnetism,vizStoner and spin fluctuation model. In comparison to DFT+DMFT method, temperature dependent DFT approach is found to well describe the finite-temperature magnentization curve of Ni below critical temperature (T⩽ 631 K). The study finds significant Pauli-spin susceptibility contribution to paramagnetic spin susceptibility. Excluding the Pauli-spin response yields a linear Curie-Weiss dependence of the inverse paramagnetic susceptibility at higher temperatures. Also, the presence of mixed valence electronic configuration (3d8, 3d9and 3d7) is noted. The competing degrees of both the itinerant and localized moment picture of 3dstates are found to dictate the finite-temperature magnetization of the system. Furthermore, the quasiparticle scattering rate is found to exhibit strong deviation fromT2behavior in temperature leading to the breakdown of conventional Fermi-liquid theory. In addition to the 6 eV satellite, our calculated electronic excitation spectrum shows the possible presence of satellite feature extending ∼10 eV binding energy, which has previously been reported experimentally. Interestingly, ourG0W0results find the presence of plasmonic excitation contribution to the intensity of famous 6 eV satellite along with the electronic correlation effects, paving way for its reinterpretation.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143468337","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

Enhanced control of surface wave transitions via trapped air film on multiscale structured surfaces. 通过多尺度结构表面的困气膜增强对表面波转换的控制。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-03 DOI: 10.1088/1361-648X/adb926

Yan Xing, Tianshun Shen, Qing Tang, Qingfei Fu, Lijun Yang, Ruo-Yu Dong

{"title":"Enhanced control of surface wave transitions via trapped air film on multiscale structured surfaces.","authors":"Yan Xing, Tianshun Shen, Qing Tang, Qingfei Fu, Lijun Yang, Ruo-Yu Dong","doi":"10.1088/1361-648X/adb926","DOIUrl":"10.1088/1361-648X/adb926","url":null,"abstract":"The control of the threshold for surface wave transition is a topic of great interest in both scientific and industrial communities. Traditional methods, like installing baffles, for suppressing surface waves often suffer from issues including increased system weight, lack of flexibility and universality, and problems with structural performance. This study utilizes micro/nanoscale surface modifications and millimeter scale slot structure design to trap air film to absorb vibration energy under liquid surface waves. We directly visualized the trapped air film and systematically examined how variations in slot width and depth influence the harmonic-to-subharmonic wave transition. The synchronized correlation between the transition thresholds and air film displacements at varying slot dimensions was established, indicating the significant role of trapped air in shaping the behavior of surface waves. We further discovered that as the liquid thickness increases, the role of the air film gradually weakens until it reaches a critical thickness. This research offers valuable insights into more efficient surface wave control methods, potentially enhancing the design and stability of precision systems in various industries.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143472584","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

Anomalous temperature dependence of spin-orbit coupling in Al₂O₃/SrTiO₃and Al₂O₃/KTaO₃heterostructures. Al2O3/SrTiO3和Al2O3/KTaO3异质结构中自旋轨道耦合的反常温度依赖性

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-03 DOI: 10.1088/1361-648X/adb924

Z Qin, D B Zhou, X R Ma, T Lin, K H Gao

引用次数: 0

Effect of thermally-induced cationic redistribution on the structural and magnetic properties of Cu-substituted zinc ferrite. 热诱导阳离子重分布对铜取代铁氧体锌结构和磁性能的影响。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-28 DOI: 10.1088/1361-648X/adb824

S Nayak, P K Roy, S Ghorai, A M Padhan, P Svedlindh, P Murugavel

{"title":"Effect of thermally-induced cationic redistribution on the structural and magnetic properties of Cu-substituted zinc ferrite.","authors":"S Nayak, P K Roy, S Ghorai, A M Padhan, P Svedlindh, P Murugavel","doi":"10.1088/1361-648X/adb824","DOIUrl":"10.1088/1361-648X/adb824","url":null,"abstract":"Cationic redistribution in spinel ferrite systems greatly influences the magnetic ordering and the associated phenomena. Here, the effect of the synthesis condition on the cationic redistribution and its correlation with the magnetic properties were explored in the Cu2+substituted ZnFe2O4spinel ferrite. X-ray photoelectron spectroscopy and x-ray diffraction studies reveal that the variation of sintering temperature redistributes the cations between tetrahedral and octahedral sublattices. Results from low field dc-magnetic susceptibility measurements show that the susceptibility increases with decreasing sintering temperature of the sample. Furthermore, the ac-susceptibility results suggest that the sample sintered at 1048 K (1148 K) exhibits spin-glass behavior with a glass transition temperature of ∼49.2 K (47.1 K) and a cluster-glass behavior at a higher temperature of ∼317 K (330 K), characteristics that are absent in the sample sintered at 1248 K. The sample annealed at 1048 K exhibits a magnetocaloric effect with a maximum isothermal entropy change of ∼1.21 J kg-1K-1atμ0H=5T.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143458406","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

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 : 2025-02-28 DOI: 10.1088/1361-648X/adbb9a

Silvia Franco, Barbara Ruzicka, Roberta Angelini

引用次数: 0