Physica E-low-dimensional Systems & Nanostructures最新文献

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Capturing magic angles in twisted bilayer graphene from information theory markers 从信息论标记捕获扭曲双层石墨烯的魔角
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-12 DOI: 10.1016/j.physe.2025.116199
Manuel Calixto , Alberto Mayorgas , Octavio Castaños
{"title":"Capturing magic angles in twisted bilayer graphene from information theory markers","authors":"Manuel Calixto ,&nbsp;Alberto Mayorgas ,&nbsp;Octavio Castaños","doi":"10.1016/j.physe.2025.116199","DOIUrl":"10.1016/j.physe.2025.116199","url":null,"abstract":"<div><div>Zero energy eigenstates <span><math><mrow><msub><mrow><mi>ψ</mi></mrow><mrow><mn>0</mn></mrow></msub><mrow><mo>(</mo><mi>θ</mi><mo>)</mo></mrow></mrow></math></span> of the twisted bilayer graphene Hamiltonian at the Dirac point show a high sensitivity to the twist angle <span><math><mi>θ</mi></math></span> near the magic angles where the effective Fermi velocity vanishes. We use information theory markers, like fidelity-susceptibility and entanglement entropy of the reduced density matrix to the layer sector, to capture this quantum criticality of zero modes at magic twist angles.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"169 ","pages":"Article 116199"},"PeriodicalIF":2.9,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418910","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 tunneling probabilities through a barrier with embedded δ−potential wells 通过嵌入δ -势阱的势垒的隧穿概率增强
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-11 DOI: 10.1016/j.physe.2025.116200
Jamie D. Walls, Karna Nagalla
{"title":"Enhanced tunneling probabilities through a barrier with embedded δ−potential wells","authors":"Jamie D. Walls,&nbsp;Karna Nagalla","doi":"10.1016/j.physe.2025.116200","DOIUrl":"10.1016/j.physe.2025.116200","url":null,"abstract":"<div><div>A theory for the tunneling of electrons through a one dimensional barrier of length <span><math><msub><mrow><mi>L</mi></mrow><mrow><mi>B</mi></mrow></msub></math></span> embedded with <span><math><mrow><mi>δ</mi><mo>−</mo></mrow></math></span>wells is presented. For a periodic arrangement of <span><math><msub><mrow><mi>N</mi></mrow><mrow><mi>S</mi></mrow></msub></math></span> <span><math><mrow><mi>δ</mi><mo>−</mo></mrow></math></span>wells, 100% transmission through a barrier can occur via transmission modes with effective wavelengths <span><math><mrow><msub><mrow><mi>λ</mi></mrow><mrow><mi>l</mi></mrow></msub><mo>≈</mo><mfrac><mrow><mn>2</mn><msub><mrow><mi>L</mi></mrow><mrow><mi>B</mi></mrow></msub></mrow><mrow><mi>l</mi></mrow></mfrac></mrow></math></span> for <span><math><mrow><mi>l</mi><mo>=</mo><mn>1</mn></mrow></math></span> to <span><math><mrow><mi>l</mi><mo>=</mo><msub><mrow><mi>N</mi></mrow><mrow><mi>S</mi></mrow></msub><mo>−</mo><mn>1</mn></mrow></math></span>. An additional broad transmission band is also shown to occur for <span><math><mrow><mi>δ</mi><mo>−</mo></mrow></math></span>well coupling strengths that cause the overall, spatially averaged potential to vanish. Even for random arrangements of <span><math><mrow><mi>δ</mi><mo>−</mo></mrow></math></span>wells within a barrier, nearly perfect transmission is predicted for the lowest transmission bands (i.e., largest <span><math><msub><mrow><mi>λ</mi></mrow><mrow><mi>l</mi></mrow></msub></math></span>). Numerical calculations also demonstrate that <span><math><mrow><mi>δ</mi><mo>−</mo></mrow></math></span>wells within a 1D barrier increase conductance over a wider range of barrier heights relative to the conductance through a 1D barrier without <span><math><mrow><mi>δ</mi><mo>−</mo></mrow></math></span>wells.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"169 ","pages":"Article 116200"},"PeriodicalIF":2.9,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Quantum Fisher information for a nanowire system with Rashba interaction under intrinsic damping 本征阻尼下具有Rashba相互作用的纳米线系统的量子Fisher信息
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-11 DOI: 10.1016/j.physe.2025.116197
Rabie I. Mohamed , Manal G. Eldin
{"title":"Quantum Fisher information for a nanowire system with Rashba interaction under intrinsic damping","authors":"Rabie I. Mohamed ,&nbsp;Manal G. Eldin","doi":"10.1016/j.physe.2025.116197","DOIUrl":"10.1016/j.physe.2025.116197","url":null,"abstract":"<div><div>We investigate how quantum Fisher information behaves in a nanowire system influenced by Rashba interaction alongside an external magnetic field. The evaluation of estimation accuracy based on quantum Fisher information is conducted by initially establishing the system in both correlated and uncorrelated configurations by varying several parameters, including the magnetic field, the Rashba interaction strength, the intrinsic damping, the coupling constant, the detuning parameter, and the weight phase angle. According to our results, any changes to these parameters will affect the quantum Fisher information’s maximum values and oscillation number. Additionally, the intrinsic damping’s initial values have a significant influence over the occurrences of abrupt changes, progressively disappearing, and freezing of the quantum Fisher information. This creates new perspectives for the development of nanowire systems with potential future applications in the fields of quantum estimation and quantum information.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"169 ","pages":"Article 116197"},"PeriodicalIF":2.9,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143395387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
The electronic and piezoelectric properties of Janus monolayer MSi2X2Y2: A first-principles study Janus单层MSi2X2Y2的电子和压电性质:第一性原理研究
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-10 DOI: 10.1016/j.physe.2025.116211
Le Li, Depeng Zhang, Dongyan Liu, Hui Zhang
{"title":"The electronic and piezoelectric properties of Janus monolayer MSi2X2Y2: A first-principles study","authors":"Le Li,&nbsp;Depeng Zhang,&nbsp;Dongyan Liu,&nbsp;Hui Zhang","doi":"10.1016/j.physe.2025.116211","DOIUrl":"10.1016/j.physe.2025.116211","url":null,"abstract":"<div><div>In this work, Janus two-dimensional MSi<sub>2</sub>X<sub>2</sub>Y<sub>2</sub> (M = Mo and W, X, Y=N, P and As) monolayers were constructed based on monolayer MoSi<sub>2</sub>N<sub>4</sub> and WSi<sub>2</sub>N<sub>4</sub>. The phonon dispersion spectrums calculated by first principles indicated that they have high stability. The MSi<sub>2</sub>N<sub>2</sub>P<sub>2</sub> and MSi<sub>2</sub>P<sub>2</sub>As<sub>2</sub> monolayers with the bandgap (0.77 eV–1.19 eV) are indirect and direct semiconductors, respectively. They show big in-plane piezoelectric coefficients and considerable out-of-plane piezoelectric coefficients due to Janus structures. Therefore, MSi<sub>2</sub>N<sub>2</sub>P<sub>2</sub> and MSi<sub>2</sub>P<sub>2</sub>As<sub>2</sub> have large potential applications in the field of flexible piezoelectric devices such as energy collector, sensor, electronic skin and so on.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"169 ","pages":"Article 116211"},"PeriodicalIF":2.9,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418909","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Second harmonic generation and electronic properties in the septuple-atomic-layer MA2Z4 family 七原子层MA2Z4族的二次谐波产生及电子特性
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-07 DOI: 10.1016/j.physe.2025.116202
Yanyan Qian , Yadong Wei , Weiqi Li , Weiquan Tian , Jianqun Yang , XingJi Li , Jinluo Cheng
{"title":"Second harmonic generation and electronic properties in the septuple-atomic-layer MA2Z4 family","authors":"Yanyan Qian ,&nbsp;Yadong Wei ,&nbsp;Weiqi Li ,&nbsp;Weiquan Tian ,&nbsp;Jianqun Yang ,&nbsp;XingJi Li ,&nbsp;Jinluo Cheng","doi":"10.1016/j.physe.2025.116202","DOIUrl":"10.1016/j.physe.2025.116202","url":null,"abstract":"<div><div>Two-dimensional (2D) Janus monolayers represent a novel class of materials characterized by their unique structures and exceptional properties. The excitonic characteristics, along with the linear and nonlinear optical responses of the 2D MA<sub>2</sub>Z<sub>4</sub> family, have been systematically investigated through first-principles calculations. The findings indicate that monolayers of MSiGeN<sub>4</sub> (M = Mo or W) exhibit a pronounced second harmonic generation (SHG) response and notable infrared transmission capabilities, due to the breaking of mirror symmetry in these materials. A comparative analysis of the SHG response of intrinsic MSi<sub>2</sub>N<sub>4</sub> (M = Mo and W) monolayers demonstrates that Janus MSiGeN<sub>4</sub> (M = Mo and W) monolayers significantly enhance the SHG response, with enhancement factors of 5.5 and 3.8 at infrared wavelengths (1064 nm). The Janus monolayers also exhibit an additional out-of-plane response, thus enhancing the efficiency of incident light utilization from all directions. Specifically, the out-of-plane response of Janus WSiGeN<sub>4</sub> monolayers is 1.1 pm/V greater than the in-plane response of intrinsic WSi<sub>2</sub>N<sub>4</sub>. Furthermore, the dependence of SHG polarizability indicates that the out-of-plane polarizability significantly modifies the SHG response as a function of the incident angle <em>θ</em>. As a derivative of the 2D MA<sub>2</sub>Z<sub>4</sub> family, MSiGeN<sub>4</sub> (M = Mo and W) expands the scope of 2D Janus materials, and these findings may inform the design and synthesis of innovative 2D nonlinear optical materials.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"169 ","pages":"Article 116202"},"PeriodicalIF":2.9,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143427824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 evidence for the quantum Wigner solid formation in two-dimensional electron systems 二维电子系统中量子维格纳固体形成的输运证据
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-04 DOI: 10.1016/j.physe.2025.116192
A.A. Shashkin , M. Yu. Melnikov , S.V. Kravchenko
{"title":"Transport evidence for the quantum Wigner solid formation in two-dimensional electron systems","authors":"A.A. Shashkin ,&nbsp;M. Yu. Melnikov ,&nbsp;S.V. Kravchenko","doi":"10.1016/j.physe.2025.116192","DOIUrl":"10.1016/j.physe.2025.116192","url":null,"abstract":"<div><div>In this Review, we report compelling transport evidence for the formation of a quantum Wigner solid in two-dimensional (2D) electron systems in silicon metal–oxide–semiconductor field-effect transistors (MOSFETs) and ultra-clean SiGe/Si/SiGe heterostructures. We have observed two-threshold voltage–current characteristics accompanied by a peak of broadband current noise between the two threshold voltages in both 2D systems. The double threshold behavior is very similar to that observed for the collective depinning of the vortex lattice in Type-II superconductors provided the voltage and current axes are interchanged. The observed results can be described by a phenomenological theory of the collective depinning of elastic structures, which naturally generates a peak of a broadband current noise between the dynamic and static thresholds and changes to sliding of the solid over a pinning barrier above the static threshold.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"168 ","pages":"Article 116192"},"PeriodicalIF":2.9,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143284230","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
GeO2 – ZnO nanocomposite rosettes for enhancement of performance in energy technologies: Coupling organic templated synthesis with microwave treatment 用于增强能源技术性能的GeO2 - ZnO纳米复合花环:有机模板化合成与微波处理耦联
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-04 DOI: 10.1016/j.physe.2025.116198
Shaan Bibi Jaffri , Khuram Shahzad Ahmad , Isaac Abrahams , Wahidah H. Al-Qahtani
{"title":"GeO2 – ZnO nanocomposite rosettes for enhancement of performance in energy technologies: Coupling organic templated synthesis with microwave treatment","authors":"Shaan Bibi Jaffri ,&nbsp;Khuram Shahzad Ahmad ,&nbsp;Isaac Abrahams ,&nbsp;Wahidah H. Al-Qahtani","doi":"10.1016/j.physe.2025.116198","DOIUrl":"10.1016/j.physe.2025.116198","url":null,"abstract":"<div><div>Current study introduces first report on the sustainable synthesis of GeO<sub>2</sub> – ZnO nano-hetero-system copulated with the microwave treatment. GeO<sub>2</sub> – ZnO has been effectively tuned for the band gap causing an alleviation from 4.89 to 2.89 eV upon the nanocomposite formation. With the hexagonal phase, GeO<sub>2</sub> – ZnO possessed an average crystallite size of the 62.11 nm. These particles existed as nano-rossettes with the uniform upward projection. The catalytic performance of the synthesized material was more inclined towards pure hydrogen generation with the lower overpotential (<em>η</em><sub><em>HER</em></sub><em>)</em> and Tafel slopes <em>i.e.</em> 128 mV and 121.9 mV dec<sup>−1</sup>. GeO<sub>2</sub> – ZnO nano-rossettes bedecked electrode remained unscathed for a prolonged duration of the 1500 min and demonstrated commendable charge storage with the unit capacity of 384 mAH g<sup>−1</sup>. As a passivation layer in perovskite solar cells, these nanomaterials improved efficiency up to 15 % by prevention of the charge aggregation.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"169 ","pages":"Article 116198"},"PeriodicalIF":2.9,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143351158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Achieving n- and p-type Ohmic contacts in vertical graphene/CrSi2N4 heterostructure: Role of electric field 在垂直石墨烯/CrSi2N4异质结构中实现n型和p型欧姆接触:电场的作用
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-04 DOI: 10.1016/j.physe.2025.116201
Meng Chen , Shuo Liu , Mengying Zhao , Hong Li , Fengbin Liu
{"title":"Achieving n- and p-type Ohmic contacts in vertical graphene/CrSi2N4 heterostructure: Role of electric field","authors":"Meng Chen ,&nbsp;Shuo Liu ,&nbsp;Mengying Zhao ,&nbsp;Hong Li ,&nbsp;Fengbin Liu","doi":"10.1016/j.physe.2025.116201","DOIUrl":"10.1016/j.physe.2025.116201","url":null,"abstract":"<div><div>Single-layer CrSi<sub>2</sub>N<sub>4</sub> belongs to an emerging class of air-stable two-dimensional semiconductors (MA<sub>2</sub>X<sub>4</sub>) with excellent electrical properties. We engineered the vertical contact properties between graphene and single-layer CrSi<sub>2</sub>N<sub>4</sub> using first-principles calculations. The vertical graphene/CrSi<sub>2</sub>N<sub>4</sub> contact is <em>n</em>-type Ohmic at ground state, and it transforms to <em>p</em>-type Ohmic contact at over 1 V/Å of the applied electric field. On the other hand, a change in the interlayer spacing has no significant effect on the Schottky barrier. Our study suggests that the vertical graphene/CrSi<sub>2</sub>N<sub>4</sub> heterostructure is a potential material for application in nanoelectronics.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"170 ","pages":"Article 116201"},"PeriodicalIF":2.9,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529577","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Edge effect induce spin-gapless semiconducting and half-metallic properties of N-doped zigzag graphene nanoribbons 边缘效应诱导了氮掺杂之字形石墨烯纳米带的半导体和半金属性质
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116172
Jiewen Min, Xingyuan Ou, Xiong Liu, Wenting Zou, Zhaoting Li, Liqin Deng, Yuanxiang Deng
{"title":"Edge effect induce spin-gapless semiconducting and half-metallic properties of N-doped zigzag graphene nanoribbons","authors":"Jiewen Min,&nbsp;Xingyuan Ou,&nbsp;Xiong Liu,&nbsp;Wenting Zou,&nbsp;Zhaoting Li,&nbsp;Liqin Deng,&nbsp;Yuanxiang Deng","doi":"10.1016/j.physe.2024.116172","DOIUrl":"10.1016/j.physe.2024.116172","url":null,"abstract":"<div><div>Graphene nanoribbons with mixed edge structures are promising candidate materials for the next generation of nanoelectronics due to their unique and peculiar physical and chemical properties, as well as their interesting and tunable electronic structures. Here, we designs and calculates a series of periodic edge N-doped ZGNRs using first principles calculations based on density functional theory. The band gap of these ZGNRs can be adjusted from metal to semiconductor, by the periodic length of the nanobands, and the number and interval distance of N atom doping. Among them, 6-ZGNR-(1,3) is a metallic, 6-ZGNR-(1,4) and 6-ZGNR-(2,4) are half-metallic, 6-ZGNR-(2,5) and 6-ZGNR-(3,5) are SGS, and 6-ZGNR-(3,6) is a magnetic semiconductor. We projected band structures into p<sub>x</sub> orbitals of edge C and N atoms separately, and found that the energy near the Fermi level in 6-ZGNR-(1,4) is mainly contributed by edge C atoms, while 6-ZGNR-(3,5) is contributed by edge N atoms. This indicates that N atom doping plays a major role in the transition of spin polarization properties. Our studies suggest that it will have significant theoretical significance and practical value in the application of spintronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116172"},"PeriodicalIF":2.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143158215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Comparison of various schemes to determine the Young’s modulus of disordered carbon nanomembranes compared to crystalline graphene 测定无序碳纳米膜与结晶石墨烯的杨氏模量的各种方案的比较
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116170
Levin Mihlan, Julian Ehrens, Jürgen Schnack
{"title":"Comparison of various schemes to determine the Young’s modulus of disordered carbon nanomembranes compared to crystalline graphene","authors":"Levin Mihlan,&nbsp;Julian Ehrens,&nbsp;Jürgen Schnack","doi":"10.1016/j.physe.2024.116170","DOIUrl":"10.1016/j.physe.2024.116170","url":null,"abstract":"<div><div>The determination of mechanical properties such as the Young’s modulus provides an important means to compare classical molecular dynamics simulations with materials. In this respect, ultra-thin materials hold several challenges: their volume is ambiguous, and different methods to determine a stress–strain relation deliver different results in particular for disordered systems. Using the example of carbon nanomembranes we discuss three common approaches to the problem and show that stress–strain simulations following experimental setups deliver correct results if adjusted carefully. We provide step-by-step instructions how to perform trustworthy simulations.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116170"},"PeriodicalIF":2.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143158216","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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