Ruthi Linnea Zielinski, Nhat Nguyen, Bryce Herrington, Amir Tarkian, Omar Ahmed Hassan Ahmed Taha, Wai Kiat Chin, Ather Mahmood, Xiaoqian Chen, Christoph Klewe, Padraic Shafer, Jim Ciston, Paul Ashby, Claudio Mazzoli, Robert Streubel
{"title":"Magnetic Order in Nanogranular Iron Germanium (Fe0.53Ge0.47) Films.","authors":"Ruthi Linnea Zielinski, Nhat Nguyen, Bryce Herrington, Amir Tarkian, Omar Ahmed Hassan Ahmed Taha, Wai Kiat Chin, Ather Mahmood, Xiaoqian Chen, Christoph Klewe, Padraic Shafer, Jim Ciston, Paul Ashby, Claudio Mazzoli, Robert Streubel","doi":"10.1088/1361-648X/ad8c0a","DOIUrl":"https://doi.org/10.1088/1361-648X/ad8c0a","url":null,"abstract":"<p><p>We study the effect of strain on the magnetic properties and magnetization configurations in nanogranular FexGe1-x films (x = 0.53 ±0.05) with and without B20 FeGe nanocrystals surrounded by an amorphous structure. Relaxed films on amorphous silicon nitride membranes reveal a disordered skyrmion phase while films near and on top of a rigid substrate favor ferromagnetism and an anisotropic hybridization of Fe d levels and spin-polarized Ge sp band states. The weakly coupled topological states emerge at room temperature and become more abundant at cryogenic temperatures without showing indications of pinning at defects or confinement to individual grains. These results demonstrate the possibility to control magnetic exchange and topological magnetism by strain and inform magnetoelasticity-mediated voltage control of topological phases in amorphous quantum materials.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142522208","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}
{"title":"Layer-number and strain effects on the structural and electronic properties of PtSe<sub>2</sub>material.","authors":"Rania Amairi, Adlen Smiri, Sihem Jaziri","doi":"10.1088/1361-648X/ad8697","DOIUrl":"https://doi.org/10.1088/1361-648X/ad8697","url":null,"abstract":"<p><p>Bandgap engineering of low-dimensional materials forms a robust basis for advancements in optoelectronic technologies. Platinum diselenide (PtSe<sub>2</sub>) material exhibits a transition from semi-metal to semiconductor (SM-SC) when going from bulk to monolayer. In this work, density functional theory (DFT) with various van der Waals (vdW) corrections has been tested to study the effect of the layer-number on the structural and electronic properties of the PtSe<sub>2</sub>material. The considered vdW corrections gave different results regarding the number of layers at which the SM-SC transition occurs. This variation is due to the different interlayer distances found for each correction, revealing the sensitivity of the bandgap to this distance in addition to the layer number. In fact, the bandgap increases with the increasing of the interlayer distance, due to the energy shift of conduction and valence bands dominated by Se-<i>p<sub>z</sub></i>orbitals. According to the comparison with the available experimental data, the vdW corrections vdW-DF and rVV10 gave the most accurate results. Moreover, the control of the interlayer distance via vertical compressive strain led to the bandgap tuning of semiconductor PtSe<sub>2</sub>BL. Indeed, a semi-metal character of PtSe<sub>2</sub>BL can be obtained under 17% vertical strain. Our work shows a deep understanding of the correlation between the structural and electronic properties, and thus a possibility to tune the bandgap by strain means.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142502600","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}
{"title":"What can we learn from the experiment of electrostatic conveyor belt for excitons?","authors":"T T Zhao, Rui Li, C S Liu","doi":"10.1088/1361-648X/ad81a7","DOIUrl":"10.1088/1361-648X/ad81a7","url":null,"abstract":"<p><p>Motivated by the experiment of electrostatic conveyor belt for indirect excitons (Winbow<i>et al</i>2011<i>Phys. Rev. Lett.</i><b>106</b>196806), we studied the exciton patterns for understanding the exciton dynamics. By analyzing the exciton diffusion, we found that the patterns mainly came from the photoluminescence of two kinds of excitons. The patterns near the laser spot came from the hot excitons which can be regarded as the classical particles. However, the patterns far from the laser spot come from the cooled or coherent excitons. Considering the finite lifetime of Bosonic excitons and of the interactions between them, we built a time-dependent nonlinear Schrödinger equation including the non-Hermitian dissipation to describe the coherent exciton dynamics. The real-time and imaginary-time evolutions were used alternately to solve the Schrödinger equation to simulate the exciton diffusion accompanied by the exciton cooling in the moving lattices. By calculating the escape probability, we obtained the transport distances of the coherent excitons in the conveyor, consistent with the experimental data. The cooling speed of excitons was found to be important in coherent exciton transport. Moreover, the plateau in the average transport distance cannot be explained by the dynamical localization-delocalization transition induced by the disorders.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142348893","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}
Dorota I Iwona Walicka, Olivier Blacque, Tomasz Klimczuk, Fabian Von Rohr
{"title":"From Weak- to Strong-Coupling Superconductivity in the AlB2-Type Solid Solution SrGa1-xAlxGe with Honeycomb Layers.","authors":"Dorota I Iwona Walicka, Olivier Blacque, Tomasz Klimczuk, Fabian Von Rohr","doi":"10.1088/1361-648X/ad8c0b","DOIUrl":"https://doi.org/10.1088/1361-648X/ad8c0b","url":null,"abstract":"<p><p>We report on the structure and the superconducting properties of 9-electron 111 compounds with honeycomb layers, namely SrGaGe, SrAlGe, and the SrGa1-x AlxGe solid solution. By means of single-crystal X-ray diffraction we show that, on one hand, SrGaGe 
 crystallizes into the centrosymmetric P6/mmm space group (a = 4.2555(2) ˚A, c = 4.7288(2) ˚A) with statistical disorder in the [GaGe]2- 6 honeycomb layers. On the other hand, we confirm that SrAlGe crystallizes in a non-centrosymmetric space group, namely P6m2 (a = 4.2942(1) ˚A, c = 4.7200(2) ˚A) with fully ordered [AlGe]2- 6 honeycomb layers. By using magnetization and specific heat measurements, we show that the superconducting properties of SrGaGe and SrAlGe differ significantly from each other. SrGaGe is a superconductor with a critical temperature of Tc = 2.6 K falling into the weak coupling limit, while SrAlGe has a Tc = 6.7 K and can be classified in the strong coupling limit. By realizing the SrGa1-x AlxGe solid solution, we were able to investigate the transition between 
 the different crystal structures as well as the evolution of the electronic properties. We show that the transition from the weak to the strong coupling superconductivity in this system is likely associated with the disorder-to-order transition of the honeycomb layer, along with the loss of the inversion center in the crystal structure.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142522207","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}
{"title":"Hot carrier transfer from plasmon decay in Ag<sub>20</sub>at H-Si(111) surface: Real-time TDDFT simulation in Wannier gauge.","authors":"John Bost, Christopher Shepard, Yosuke Kanai","doi":"10.1088/1361-648X/ad8b8e","DOIUrl":"https://doi.org/10.1088/1361-648X/ad8b8e","url":null,"abstract":"<p><p>Plasmon decay is believed to play an essential role in inducing hot carrier transfer at the interfaces between plasmonic nanoparticles and semiconductor surfaces. In this work, we employ real-time time- dependent density functional theory (RT-TDDFT) simulation in the Wannier gauge to gain quantum- mechanical insights into the nonlinear dynamics of the plasmon decay in the Ag20 nanoparticle at a semiconductor surface. The first-principles simulations show that the plasmon decay is more than two times faster when the Ag20 nanoparticle is adsorbed on a hydrogen-terminated Si(111) surface, taking place within 100 femtoseconds of the plasmon excitation. Hot carrier transfer across the interface is observed as the plasmon decay takes place, and nearly 30% of holes are generated deep in the valence band of the semiconductor surface. The use of Wannier gauge in RT-TDDFT simulation is particularly convenient for gaining quantum-mechanical insights into non-equilibrium electron dynamics in complex heterogeneous systems.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142502595","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}
Ajinkya P Khangal, Nishant N Patel, Ajay Kumar Kumar Mishra
{"title":"Charge Transfer Induced Phase Transition in Li<sub>2</sub>MnO<sub>3</sub>at High Pressure.","authors":"Ajinkya P Khangal, Nishant N Patel, Ajay Kumar Kumar Mishra","doi":"10.1088/1361-648X/ad8b8f","DOIUrl":"https://doi.org/10.1088/1361-648X/ad8b8f","url":null,"abstract":"<p><p>Efficient and better energy storage materials are of utmost technological importance to reduce energy dependence on the fossil fuels. Li<sub>2</sub>MnO<sub>3</sub>is one such material having potential to meet most of the requirements for energy storage. This material has been synthesized using solid state synthesis route. High pressure structural and vibrational studies on this material have been carried out upto~ 22 and 26 GPa respectively. These investigations show occurrence of a hitherto unknown second order phase transition to a new low symmetry phase whose symmetry is constrained to be monoclinic with space group P2<sub>1</sub>/n at pressure of ~ 2.3 GPa in Li<sub>2</sub>MnO<sub>3</sub>. The bulk modulus and its derivative determined by fitting the P-V data with third order Birch-Murnaghan (B-M) equation of state (EOS) are 113.3 ± 13.1 GPa and 4.1 ± 1.2 respectively. Mode Grüneisen parameter calculated for all the Raman modes show positive values which indicates the absence of any soft mode in this material. A microscopic mechanism based on bond-charge transfer is invoked and applied to understand the spectroscopic changes occurring in this material which also manifests second order structural phase transition. Enhancement in covalent character of Li-O bonds in the Li-O polyhedra is inferred based on the spectroscopic observation and above mechanism.
.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142502583","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}
Nicolas Gauriot, Raj Pandya, Jack Alexander-Webber, Akshay Rao
{"title":"Isolation and characterisation of monolayer phosphorene analogues.","authors":"Nicolas Gauriot, Raj Pandya, Jack Alexander-Webber, Akshay Rao","doi":"10.1088/1361-648X/ad81a1","DOIUrl":"10.1088/1361-648X/ad81a1","url":null,"abstract":"<p><p>Atomically thin group IV monochalcogenides or phosphorene analogues are a promising family of materials. Theoretical calculations predict that monolayers (MLs) should be semiconducting, ferroelectric and ferroelastic at room temperature, exhibit large charge mobilities and large non-linear optical response. Yet, experimental studies of these systems are scarce because of the difficulty to produce such MLs. Here we focus on two members of this family: GeSe and SnS. We demonstrate a simple mechanical exfoliation method to produce ML samples on gold substrates. We observe the evolution of the Raman scattering as a function of layers and the anisotropic optical response from reflectance contrast measurements. To the best of our knowledge this is the first report of mechanical exfoliation down to the ML of these materials and the first realisation of ML GeSe.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142348882","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}
{"title":"Special-point approach for optical absorption coefficient calculations on two-dimensional self-assemblies of type-II perovskite quantum dots.","authors":"C I Cabrera, R Pérez-Álvarez","doi":"10.1088/1361-648X/ad8716","DOIUrl":"10.1088/1361-648X/ad8716","url":null,"abstract":"<p><p>All-inorganic perovskite quantum dots with the usual cubic shape have emerged as a successful and low-cost alternative to electronically functional nanomaterials motivating various fields of applications, including high-efficiency photovoltaics. Here, we present an efficient and almost analytic approach for optical absorption coefficient calculation on self-assembled perovskite quantum dot films with type-II band alignment. The approach takes advantage of the special point technique for integration over the two-dimensional Brillouin zone, which minimizes the computational cost. The set of special wave-vector points is generated using the Monkhorst and Pack method. The optical absorption spectrum for phenyl-C60-butyric acid methyl ester (PCBM)/CsPbI<sub>3</sub>quantum dot films is computed, in good agreement with the experiment assuming a homogeneous linewidth of 50 meV and considering a ten special-point set. We show that light absorption in these systems is a cooperative optoelectronic property resulting from the quantum-mechanical coupling between perovskite nanocubes, leading to extended system states. The generality of this approach makes it suitable for calculating the optical absorption coefficient in a broad class of perovskite quantum dot systems.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142468306","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}
João Vitor Bastos Del Piero, Roberto Hiroki Miwa, Wanderla Luis Scopel
{"title":"Vanadium incorporation in 2D-layered MoSe2.","authors":"João Vitor Bastos Del Piero, Roberto Hiroki Miwa, Wanderla Luis Scopel","doi":"10.1088/1361-648X/ad8abb","DOIUrl":"https://doi.org/10.1088/1361-648X/ad8abb","url":null,"abstract":"<p><p>Recent advances in experimental techniques have made it possible to manipulate the structural and electronic properties of two-dimensional layered materials (2DM) through interaction with foreign atoms. Using quantum mechanics calculations based on the Density Functional Theory (DFT), we explored the dependency of the structural, energetic, electronic, and magnetic properties of the interaction between Vanidium (V) atoms and monolayer (ML) and bilayer (BL) ce{MoSe2}. The spin-polarized metallic behavior was observed for high V concentration, and a semiconductor/metal interface emerged due to V adsorption on top of BL ce{MoSe2}.
Our research demonstrated that the functionalization of 2D materials makes an important contribution to the design of spintronic devices based on a 2D-layered materials platform.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142502599","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}
{"title":"Multivariate growth analysis on D0<sub>19</sub>-phase Mn<sub>3</sub>Ga kagome-based topological antiferromagnets.","authors":"Wei-Chih Chang, Anqi Cheng, Yangjun Gao, Feiya Xu, Xu Li, Yaping Wu, Zhiming Wu, Junyong Kang","doi":"10.1088/1361-648X/ad81a4","DOIUrl":"10.1088/1361-648X/ad81a4","url":null,"abstract":"<p><p>The combination of antiferromagnetism and topological properties in Mn<sub>3</sub>X (X = Sn,Ge,Ga) offers a unique platform to explore novel spin-dependent phenomena and develop innovative spintronic devices. Here, we have systematically investigated the phase transition of Mn<sub>3</sub>Ga thin films on SiO<sub>2</sub>(001)/Si substrates under various growth parameters such as seeding layer structure, annealing conditions, and film thickness. The relatively thick Mn<sub>3</sub>Ga films grown with Ru seeding exhibit a variety of polycrystalline hexagonal phases, including (002), and (201). The addition of a Ta layer to the conventional Ru seeding layer promotes the formation of nearly single-crystal antiferromagnetic (AF) Mn<sub>3</sub>Ga(002) phase from the relatively thin Mn<sub>3</sub>Ga films after annealing at 773 K. The investigation of the growth mechanism of Mn<sub>3</sub>Ga polycrystalline thin films provides a reference strategy for exploring Mn-based AF spintronic devices.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142348884","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}