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Band Structure and Quantum Phase Transition of Graphene/h-BN Heterojunction under Local Potential Control 局域电位控制下石墨烯/h-BN异质结的能带结构和量子相变
IF 1.5 4区 物理与天体物理
Advances in Condensed Matter Physics Pub Date : 2022-01-01 DOI: 10.12677/cmp.2022.113007
婷婷 唐
{"title":"Band Structure and Quantum Phase Transition of Graphene/h-BN Heterojunction under Local Potential Control","authors":"婷婷 唐","doi":"10.12677/cmp.2022.113007","DOIUrl":"https://doi.org/10.12677/cmp.2022.113007","url":null,"abstract":"","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":"77 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83878503","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
First-Principles Study on the Magnetism of Triangular Graphene Quantum Dot with Armchair Edges Decorated by Zigzag Extensions 带之字形延伸的扶手椅边三角形石墨烯量子点磁性的第一性原理研究
IF 1.5 4区 物理与天体物理
Advances in Condensed Matter Physics Pub Date : 2022-01-01 DOI: 10.12677/cmp.2022.112005
希超 刘
{"title":"First-Principles Study on the Magnetism of Triangular Graphene Quantum Dot with Armchair Edges Decorated by Zigzag Extensions","authors":"希超 刘","doi":"10.12677/cmp.2022.112005","DOIUrl":"https://doi.org/10.12677/cmp.2022.112005","url":null,"abstract":"Using first-principles calculations, we investigate the effect of zigzag extensions on the magnetic properties of triangular graphene quantum dot with armchair edges. The results show that when two or three zigzag extensions are added to the armchair edges of triangular graphene quantum dot, the ground states of most modified structures conform to the Lieb’s theorem, while some structures violate the Lieb’s theorem, which can be attributed to the small energy difference be-tween the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO). In addition, we find that the ground states of partial modified structures remain in the low-spin state, while the others change from a low-spin state to a high-spin state. Our findings have important implications for manipulating the magnetism of graphene quantum dot with arm-chair edges.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":"1 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89143352","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
Preparation and Characterization of LLZO-Based Solid Electrolytes by Al2O3-Assisted Sintering al2o3辅助烧结法制备llzo基固体电解质及其表征
IF 1.5 4区 物理与天体物理
Advances in Condensed Matter Physics Pub Date : 2022-01-01 DOI: 10.12677/cmp.2022.111001
鑫 刘
{"title":"Preparation and Characterization of LLZO-Based Solid Electrolytes by Al2O3-Assisted Sintering","authors":"鑫 刘","doi":"10.12677/cmp.2022.111001","DOIUrl":"https://doi.org/10.12677/cmp.2022.111001","url":null,"abstract":"The rapid growth of the lithium-ion battery market has led to higher requirements for the performance and stability of lithium-ion batteries. Traditional liquid organic batteries are prone to short-circuits and cause explosions and fires, posing serious safety hazards. Compared with traditional Li-ion batteries using liquid electrolytes, all-solid-state Li-ion batteries have received extensive attention due to their good stability and safety. Garnet-type solid electrolyte Li 7 La 3 Zr 2 O 12 (LLZO) has high ionic conductivity and is considered to be a promising solid electrolyte. However, the synthesis of LLZO often requires high temperature, but the high temperature could lead to a large amount of lithium evaporation, thus reducing the ionic conductivity of the LLZO-based samples. Therefore, how to reduce the synthesis temperature of LLZO and improve its ionic conductivity is an important topic. Here, we synthesized solid electrolytic Li 6.1 Ga 0.3 La 3 Zr 2 O 12 with garnet-type structure by traditional solid-phase method and introducing Al 2 O 3 as a sintering aid. Compared with the samples without sintering aid, the introduction of Al 2 O 3 not only reduces the sintering temperature, but also significantly increases the ionic conductivity. It is found that adding a small amount of Al 2 O 3 as an additive can reduce the sintering temperature from 1100°C to around 1050˚C. Finally, we found, when the Al 2 O 3 content is 2 wt%, the room-temperature ionic conductivity is the highest at 1.28 mS/cm.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":"46 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90536183","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
Study on Physical Properties of Two-Dimensional Layered Magnetic Semiconductor Material FePSe3 二维层状磁性半导体材料FePSe3的物理性质研究
IF 1.5 4区 物理与天体物理
Advances in Condensed Matter Physics Pub Date : 2022-01-01 DOI: 10.12677/cmp.2022.112003
博 刘
{"title":"Study on Physical Properties of Two-Dimensional Layered Magnetic Semiconductor Material FePSe3","authors":"博 刘","doi":"10.12677/cmp.2022.112003","DOIUrl":"https://doi.org/10.12677/cmp.2022.112003","url":null,"abstract":"The transition metal phosphorus trisulfides FePSe 3 was successfully grown by chemical vapor","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":"17 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91301937","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
Boundary Effect of Two-Band Superconductors and Its Impact on the Critical Temperature of MgB2 Thin Film 双带超导体的边界效应及其对MgB2薄膜临界温度的影响
IF 1.5 4区 物理与天体物理
Advances in Condensed Matter Physics Pub Date : 2022-01-01 DOI: 10.12677/cmp.2022.112006
佳慧 陈
{"title":"Boundary Effect of Two-Band Superconductors and Its Impact on the Critical Temperature of MgB2 Thin Film","authors":"佳慧 陈","doi":"10.12677/cmp.2022.112006","DOIUrl":"https://doi.org/10.12677/cmp.2022.112006","url":null,"abstract":"Based on two-band Bogoliubov-de Gennes theory, we study the boundary effect of an interface between two-band superconductor and insulator (or vacuum). New boundary terms are introduced into two-band Ginzburg-Landau free energy, and the characteristic length scale of boundary effect can be estimated. Taking into account this boundary effect, we study the critical temperature dependence of film thickness for magnesium diboride. Our numerical results are in good","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":"1 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72880722","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
First-Principles Study on Adsorption and Decomposition of NOx on Mo (110) Surface Mo(110)表面吸附和分解NOx的第一性原理研究
IF 1.5 4区 物理与天体物理
Advances in Condensed Matter Physics Pub Date : 2021-12-30 DOI: 10.1155/2021/3264737
Yunmi Huang, Hai-Jun Luo, C. Dong
{"title":"First-Principles Study on Adsorption and Decomposition of NOx on Mo (110) Surface","authors":"Yunmi Huang, Hai-Jun Luo, C. Dong","doi":"10.1155/2021/3264737","DOIUrl":"https://doi.org/10.1155/2021/3264737","url":null,"abstract":"Based on the density functional theory, the adsorption and decomposition of NOx (x = 1, 2) on Mo (110) surface are studied with first-principles calculations. Results show that the stable structures of NO2/Mo (110) are MoNO2 (T, μ1-N), MoNO2 (H, μ3-N, O, O′), MoNO2 (S, η2-O, O′), and MoNO2 (L, η2-O, O′). The corresponding adsorption energies for the structures are −3.83 eV, −3.40 eV, −2.81 eV, and −2.60 eV, respectively. Besides, the stable structures of NO/Mo (110) are MoNO (H, μ1-N), MoNO (H, μ2-N, O), and MoNO (H, η1-N) with the corresponding adsorption energies of −3.75 eV, −3.57 eV, and −3.01 eV, respectively. N and O atoms are easily adsorbed at the hollow sites on Mo (110) surfaces, and their adsorption energies reach −7.02 eV and −7.70 eV, respectively. The preferable decomposition process of MoNO2 (H, μ3-N, O, O′) shows that the first and second deoxidation processes need to overcome energy barriers of 0.11 eV and 0.64 eV, respectively. All these findings indicate that NO2 is relatively easy to dissociate on Mo (110) surface.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":"11 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88483836","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
Plasmon Mediation of Charge Pairing in High Temperature Superconductors 高温超导体中电荷对的等离子体介质
IF 1.5 4区 物理与天体物理
Advances in Condensed Matter Physics Pub Date : 2021-12-28 DOI: 10.1155/2021/7234840
A. Mukubwa, J. Makokha
{"title":"Plasmon Mediation of Charge Pairing in High Temperature Superconductors","authors":"A. Mukubwa, J. Makokha","doi":"10.1155/2021/7234840","DOIUrl":"https://doi.org/10.1155/2021/7234840","url":null,"abstract":"A Bose-Einstein condensate (BEC) of a nonzero momentum Cooper pair constitutes a composite boson or simply a boson. We demonstrated that the quantum coherence of the two-component BEC (boson and fermion condensates) is controlled by plasmons. It has been proposed that plasmons, observed in both electron-doped and hole-doped cuprates, originates from the long-range Coulomb screening, where the transfer momentum \u0000 \u0000 \u0000 \u0000 q\u0000 \u0000 \u0000 ⟶\u0000 0\u0000 \u0000 . We further show that the screening mediates boson-fermion pairing at condensate state. While only about 1\u0000 \u0000 %\u0000 \u0000 of plasmon energy mediates the charge pairing, most of the plasmon energy is used to overcome the modes that compete against superconductivity such as phonons, charge density waves, antiferromagnetism, and damping effects. Additionally, the dependence of frequency of plasmons on the material of a superconductor is also explored. This study gives a quantum explanation of the modes that enhance and those that inhibit superconductivity. The study informs the nature of electromagnetic radiations (EMR) that can enhance the critical temperature of such materials.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":"5 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81079666","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: 1
A First-Principles Study of Gas Molecule Adsorption on Carbon-, Nitrogen-, and Oxygen-Doped Two-Dimensional Borophene 掺杂碳、氮、氧的二维硼罗芬吸附气体分子的第一性原理研究
IF 1.5 4区 物理与天体物理
Advances in Condensed Matter Physics Pub Date : 2021-12-20 DOI: 10.1155/2021/3760631
X. Qin, Wanjun Yan, Dongxiang Li, Zhongzheng Zhang, Shaobo Chen
{"title":"A First-Principles Study of Gas Molecule Adsorption on Carbon-, Nitrogen-, and Oxygen-Doped Two-Dimensional Borophene","authors":"X. Qin, Wanjun Yan, Dongxiang Li, Zhongzheng Zhang, Shaobo Chen","doi":"10.1155/2021/3760631","DOIUrl":"https://doi.org/10.1155/2021/3760631","url":null,"abstract":"A first-principles study was performed to investigate the adsorption properties of gas molecules (CO, CO2, NO, and NO2) on carbon- (C-), nitrogen- (N-), and oxygen-doped (O) borophene. The adsorption energies, adsorption configurations, Mulliken charge population, surface work functions, and density of states (DOS) of the most stable doped borophene/gas-molecule configurations were calculated, and the interaction mechanisms between the gas molecules and the doped borophene were further analyzed. The results indicated that most of the gas molecules exhibited strong chemisorption at the VB site (the center of valley bottom B–B bond) of the doped borophene (compared to pristine borophene). Electronic property analysis of the C-doped borophene/CO2 and the NO2 adsorption system revealed that there were numerous charge transfers from the C-doped borophene to the CO2 and NO2 molecules. This indicated that C-doped borophene was an electron donor, and the CO2 and NO2 molecules served as electron acceptors. In contrast to variations in the adsorption energies, electronic properties, and surface work functions of the different gas, C-, N-, and O-doped borophene adsorption systems, we concluded that the C-, N-, and O-doped borophene materials will improve the sensitivity of CO, CO2, and NO2 molecule; this improvement of adsorption properties indicated that C-, N-, and O-doped borophene materials are excellent candidates for surface work functions transistor to detect gas molecules.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":"36 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76888911","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: 4
Thermal Conductivity of Graphitic Carbon Nitride Nanotubes: A Molecular Dynamics Study 石墨氮化碳纳米管的热导率:分子动力学研究
IF 1.5 4区 物理与天体物理
Advances in Condensed Matter Physics Pub Date : 2021-12-15 DOI: 10.1155/2021/7188175
Hui Guo, Chunqing Huo, Liang Yang, Shiwei Lin
{"title":"Thermal Conductivity of Graphitic Carbon Nitride Nanotubes: A Molecular Dynamics Study","authors":"Hui Guo, Chunqing Huo, Liang Yang, Shiwei Lin","doi":"10.1155/2021/7188175","DOIUrl":"https://doi.org/10.1155/2021/7188175","url":null,"abstract":"Graphitic carbon nitride (g-C3N4) nanotubes are recently gaining increasing interest due to their extraordinary physicochemical properties. In the following, we report on simulations using a method of nonequilibrium molecular dynamics and focus on the thermal conductivity variation of g-C3N4 nanotubes with respect to different temperatures, diameters, and chiral angles. In spite of the variation of diameters and chiral angles, the structure of nanotubes possesses high stability in the temperature range from 200 K to 600 K. Although there is little change of the thermal conductivity per unit arc length for nanotubes with the same diameter at different temperatures, it decreases significantly with increasing diameters at the same temperature. The thermal conductivity at different chiral angles has little to do with how temperature changes. Simulation results show that the vibrational density of states of nanotubes distributed, respectively, at ∼11 THz and ∼32 THz, indicating that heat in nanotubes is mostly carried by phonons with frequencies lower than 10 THz.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":"22 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83750377","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: 2
First-Principles Investigation of Structural, Electronic, and Room Temperature Ferromagnetism in Si-Doped Monolayer BN si掺杂单层BN的结构、电子和室温铁磁性第一性原理研究
IF 1.5 4区 物理与天体物理
Advances in Condensed Matter Physics Pub Date : 2021-11-30 DOI: 10.1155/2021/5422065
Ahemedin Abedea Ajaybu, Sintayehu Mekonnen Hailemariam
{"title":"First-Principles Investigation of Structural, Electronic, and Room Temperature Ferromagnetism in Si-Doped Monolayer BN","authors":"Ahemedin Abedea Ajaybu, Sintayehu Mekonnen Hailemariam","doi":"10.1155/2021/5422065","DOIUrl":"https://doi.org/10.1155/2021/5422065","url":null,"abstract":"We performed spin-polarized density functional theory (DFT) to investigate the structural, electronic, and magnetic properties of silicon- (Si-) doped monolayer boron nitride (BN). The present study revealed that structural parameters like bond length, bond angle, and lattice parameters increase as Si-doped in the B site of monolayer BN. However, the bandgap of monolayer BN is reduced in the presence of the Si dopant. Moreover, the obtained magnetic moment and analysis of the total density of states (TDOS) show that Si-doped monolayer BN displays ferromagnetism. The calculated ferromagnetic transition temperature (Tc) value for Si concentration of 12.5% is 476 K which exceeds room temperature. The findings are avenues to enhance the application of monolayer BN for spintronics.","PeriodicalId":7382,"journal":{"name":"Advances in Condensed Matter Physics","volume":"1 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85915812","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: 2
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