作者： Liu, Qian;Cui, Xing-Qian;Fan, Zhi-Qiang*

期刊： Physics Letters A,2020年384(28):126732 ISSN：0375-9601

通讯作者： Fan, Zhi-Qiang

作者机构： [Liu, Qian; Cui, Xing-Qian; Fan, Zhi-Qiang] Changsha Univ Sci & Technol, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Sch Phys & Elect Sci, Changsha 410114, Peoples R China.

通讯机构： [Fan, Zhi-Qiang] C;Changsha Univ Sci & Technol, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Sch Phys & Elect Sci, Changsha 410114, Peoples R China.

关键词： Density-functional theory;Non-equilibrium Green's function;Electronic transport;Schottky junction;SiC nanoribbon

摘要： In this work, we investigate the electronic transport properties of M/SiC Schottky junctions (M=Ag, Au and Pd). The results show that the band structures of hydrogenated zigzag SiC nanoribbons (ZSiCNRs) and hydrogenated armchair SiC nanoribbons (ASiCNRs) are almost unaffected by their width changes. When the hydrogenated 7-ASiCNR is directly connected to the Ag, Au and Pd electrode, the transmission spectra of three metal-semiconductor junctions show that the Fermi level of metal is pinned to a fixed position in the semiconductor band gap of hydrogenated 7-ASiCNR. The nearly same rectifying current-voltage characteristics are found in three metal-semiconductor junctions. The average rectification ratios of three M/SiC Schottky junctions are all in the neighborhood of 10(6). In other word, the M/SiC Schottky junction has remarkable application prospect as the candidate for Schottky Diode. (C) 2020 Elsevier B.V. All rights reserved.

语种： 英文

作者： Xie, Fang*;Duan, Ting-Ting;Wang, Wei-Lin;Chu, Yu-Fang;Liu, Jian-Ping;...

期刊： Chemical Physics,2020年538:110909 ISSN：0301-0104

通讯作者： Xie, Fang;Fan, Zhi-Qiang

作者机构： [Duan, Ting-Ting; Wang, Hai-Yan; Xie, Fang; Chu, Yu-Fang; Wang, Wei-Lin; Liu, Jian-Ping] Yichun Univ, Phys Sci & Engn Technol Coll, Yichun 336000, Peoples R China.;[Fan, Zhi-Qiang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Peoples R China.;[Long, Meng-Qiu] Cent South Univ, Sch Phys & Elect, Hunan Key Lab Super Microstruct & Ultrafast Proc, Changsha 410083, Peoples R China.

通讯机构： [Xie, Fang] Y;[Fan, Zhi-Qiang] C;Yichun Univ, Phys Sci & Engn Technol Coll, Yichun 336000, Peoples R China.;Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Peoples R China.

关键词： Antimonene nanoribbon;Band structure;First-principle;Negative differential resistance

摘要： In this paper, we study the electronic structures and electronic transport properties of wide buckled and puckered antimonene nanoribbions (SbNRs) via edge hydrogenation and oxidation by using a first principle method. The calculated results show that the edge passivations play an important role in the band structures of wide buckled and puckered SbNRs. The current-voltage characteristics of buckled and puckered SbNRs consistent with their band structures. The currents of buckled and puckered SbNR devices via edge hydrogenation are nearly zero at low bias region, but the edge oxidation can enlarge the device's conductance obviously. More importantly, the tunable negative differential resistance behavior can be found in the buckled and puckered SbNR devices via edge oxidation. Our researches are of great significance for the subsequent application of SbNR devices. © 2020 Elsevier B.V.

语种： 英文

作者： 张丹;崔丽玲;谭金桃;肖金;何军;...

期刊： 湖南工业大学学报,2020年34(05):15-20 ISSN：1673-9833

作者机构： 湖南工业大学理学院,湖南株洲 412007;长沙理工大学物理与电子科学学院,湖南长沙 410114;[罗小刚] 邵阳县岩口铺镇初级中学,湖南邵阳 422106;[肖金; 谭金桃; 崔丽玲; 张丹; 何军] 湖南工业大学;[范志强] 长沙理工大学

关键词： 锯齿型硅烯纳米带器件;掺杂;第一性原理;自旋输运性质;自旋过滤效应

摘要： 采用密度泛函理论和非平衡格林函数方法,研究了硼和氮原子单独掺杂对锯齿型硅烯纳米带器件中自旋输运行为的调控作用.研究发现硼和氮原子都是掺杂在锯齿型硅烯纳米带的边缘最稳定.硼和氮原子的掺杂区域对器件的自旋输运性质起着关键作用:当掺杂在器件的散射区时,可发现微小的自旋劈裂现象;但是当掺杂在电极区时,会出现较明显的自旋劈裂现象,相应的自旋过滤效率可高达100％.

语种： 中文

作者： Jia, Pin-Zhen;Wu, Dan;Zhang, Qian-Qian;Zhou, Wu-Xing*;Fan, Zhi-Qiang;...

期刊： Physica Status Solidi-Rapid Research Letters,2020年14(10):2000333- ISSN：1862-6254

通讯作者： Chen, Ke-Qiu;Zhou, Wu-Xing

作者机构： [Zhang, Qian-Qian; Jia, Pin-Zhen; Tang, Li-Ming; Feng, Ye-Xin; Wu, Dan; Chen, Ke-Qiu] Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Peoples R China.;[Zhou, Wu-Xing] Hunan Univ Sci & Technol, Sch Mat Sci & Engn, Hunan Prov Key Lab Adv Mat New Energy Storage & C, Xiangtan 411201, Peoples R China.;[Fan, Zhi-Qiang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Peoples R China.

通讯机构： [Chen, Ke-Qiu; Zhou, Wu-Xing] H;Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Peoples R China.;Hunan Univ Sci & Technol, Sch Mat Sci & Engn, Hunan Prov Key Lab Adv Mat New Energy Storage & C, Xiangtan 411201, Peoples R China.

关键词： nanoporous graphene;thermal management functions;thermal metamaterials

摘要： Thermal metamaterials can effectively manipulate heat flux to achieve different thermal management functions, such as thermal cloak, concentrator, and rotator. To date, most of these metamaterials are based on macroscopic compound structures, such as metal/polymer. Herein, the concept of thermal metamaterials is extended to two-dimensional (2D) graphene-based systems because of their fast response speeds, in contrast to traditional three-dimensional metamaterials. Three thermal metamaterials with heterogeneous thermal parameters are constructed using nano-holed graphene, and some extraordinary thermal phenomena, such as effective shielding, accumulation and rotation of heat flux, are observed due to the significant anisotropic thermal conductivity of these 2D systems. Moreover, these thermal phenomena are insensitive to external disturbances. For designing thermal metamaterials, this study provides a novel approach, which can be applied to other 2D thermal functional materials.

语种： 英文

作者： Su, ShaoLong;Gong, Jian*;Fan, Zhi-Qiang*

期刊： Physica E-Low-Dimensional Systems & Nanostructures,2020年117:113838 ISSN：1386-9477

通讯作者： Gong, Jian;Fan, Zhi-Qiang

作者机构： [Gong, Jian; Su, ShaoLong] Inner Mongolia Univ, Sch Phys Sci & Technol, Hohhot 010021, Peoples R China.;[Fan, Zhi-Qiang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Hunan, Peoples R China.

通讯机构： [Gong, Jian] I;[Fan, Zhi-Qiang] C;Inner Mongolia Univ, Sch Phys Sci & Technol, Hohhot 010021, Peoples R China.;Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Hunan, Peoples R China.

摘要： Using density functional theory (DFT) and non-equilibrium Green's function method (NEGF), we investigate the electronic structures and transport properties of hydrogenated zigzag phosphorene nanoribbon (ZPNR) after adsorption of four typical harmful molecules. The results show that SO3 and CCl4 are both tending to adsorb on the top site of hydrogenated ZPNR. The NH3 and CH4 are both tending to adsorb on a hollow site of hydrogenated ZPNR. Hydrogenated ZPNR exhibits a strong adsorption of SO3, and the corresponding adsorption energy and charge transfer are largest in four harmful molecules. Moreover, we found the adsorptions of CH3, CH4 and CCl4 have little effect on the band structure of hydrogenated ZPNR. However, the adsorption of SO3 can reduce the band gap of hydrogenated ZPNR obviously. The findings of the present work confirm that the hydrogenated ZPNR has strong selectivity of the absorbability.

语种： 英文

作者： Sun, Wei-Yu;Cui, Xing-Qian;Fan, Zhi-Qiang*;Nie, Liu-Ying;Zhang, Zhen-Hua

期刊： Journal of Physics D: Applied Physics,2019年52(15):155102 ISSN：0022-3727

通讯作者： Fan, Zhi-Qiang

作者机构： [Sun, Wei-Yu; Zhang, Zhen-Hua; Cui, Xing-Qian; Fan, Zhi-Qiang; Nie, Liu-Ying] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Hunan, Peoples R China.

通讯机构： [Fan, Zhi-Qiang] C;Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Hunan, Peoples R China.

关键词： Calculations;Efficiency;Electrodes;Graphene;Molecules;Nanoribbons;Negative resistance;Transport properties;First-principles calculation;Graphene nano-ribbon;IV characteristics;Molecular device;Negative differential resistances;Non-equilibrium Green's function;Relative positions;Spin filtering;Density functional theory

摘要： Using nonequilibrium Green's function combined with density functional theory, we investigate the spin-resolved transport properties of a single porphycene molecular device with the zigzag graphene nanoribbon electrodes from first-principles calculations. The calculated results show that the width and the relative position of the electrode play an important factor in the spin-resolved I-V characteristics of this molecular device. When a single porphycene molecule connects to electrodes straightly, the device exhibits a significant spin-filtering behavior with a nearly 100% spin filtering efficiency. In addition, negative differential resistance behavior can be observed in its β-spin I-V characteristic. The electrode widening can enhance the negative differential resistance behavior of the β-spin I-V characteristics, but weaken the spin filtering efficiency of the device at high bias voltages. When a single porphycene molecule connects to electrodes un-straightly, the β-spin currents increase linearly in the whole bias range and its I-V characteristics no longer show the negative differential resistance behavior. Moreover, the electrode widening can enhance both α-spin currents and β-spin currents evidently leading to the absent of the spin filtering characteristic. © 2019 IOP Publishing Ltd.

语种： 英文

作者： Li Ye-Hua;Fan Zhi-Qiang;Zhang Zhen-Hua*

期刊： 物理学报,2019年68(19):287-296 ISSN：1000-3290

通讯作者： Zhang Zhen-Hua

作者机构： [Li Ye-Hua; Zhang Zhen-Hua; Fan Zhi-Qiang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Hunan, Peoples R China.

通讯机构： [Zhang Zhen-Hua] C;Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Hunan, Peoples R China.

关键词： 纳米带;非金属原子;磁电子学特性;应变效应

摘要： 利用基于密度泛函理论的第一性原理计算方法,研究了Se边用H饱和、In边用各种非金属元素X(X=H,B,N,P,F和Cl)端接的锯齿型InSe纳米带(H-ZN(7)-X)的几何结构、磁电子特性及应变效应.计算的形成能和Forcite退火模拟表明H-ZN(7)-X具有稳定的几何结构.F和Cl端接时,纳米带具有和H端接时类似的磁金属性质.N端接时,纳米带磁性最强.但B和P端接使得纳米带边缘的磁性完全消失.特别是,我们发现外加的机械应变可以增强H-ZN(7)-N磁稳定性,并且有效地调节费米能级处的自旋极化率(SP),能在0—92％ 之间变化,这意味着可设计机械开关来控制低偏压下的自旋输运.应变调制机制与应变诱导的键长变化导致不成对的电子的重新分布或消失有关.N-ZN(7)-N的磁性主要来源于In,Se及N原子的p轨道,这对于研发非过渡金属磁性材料有重要意义.

语种： 中文

作者： Xiao, Wei-Hua;Xie, Fang*;Zhang, Xiao-Jiao;Chu, Yu-Fang;Liu, Jian-Ping;...

期刊： Physics Letters A,2019年383(14):1629-1635 ISSN：0375-9601

通讯作者： Xie, Fang;Fan, Zhi-Qiang;Chen, Ke-Qiu

作者机构： [Zhang, Xiao-Jiao; Wang, Hai-Yan; Xiao, Wei-Hua; Xie, Fang; Chu, Yu-Fang; Liu, Jian-Ping] Yichun Univ, Phys Sci & Engn Technol Coll, Yichun 336000, Peoples R China.;[Fan, Zhi-Qiang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Hunan, Peoples R China.;[Long, Meng-Qiu] Cent South Univ, Sch Phys & Elect, Hunan Key Lab Super Microstruct & Ultrafast Proc, Changsha 410083, Hunan, Peoples R China.;[Chen, Ke-Qiu] Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China.

通讯机构： [Xie, Fang] Y;[Fan, Zhi-Qiang] C;[Chen, Ke-Qiu] H;Yichun Univ, Phys Sci & Engn Technol Coll, Yichun 336000, Peoples R China.;Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Hunan, Peoples R China.

关键词： Arsenene nanoribbon;Density-functional theory;Electronic structure;Negative differential resistance behavior

摘要： We have studied the electronic structures of arsenene nanoribbons with different edge passivations by employing first-principle calculations. Furthermore, the effects of the defect in different positions on the transport properties of arsenene nanoribbons are also investigated. We find that the band structures of arsenene nanoribbons are sensitive to the edge passivation. The current-voltage characteristics of unpassivated and O-passivated zigzag arsenene nanoribbons exhibit a negative differential resistance behavior, while such a peculiar phenomenon has not emerged in the unpassivated and O-passivated armchair arsenene nanoribbons. The vacant defects on both top and bottom edges in unpassivated armchair arsenene nanoribbon can make its current-voltage characteristic also present a negative differential resistance behavior. After expanding the areas of the top and bottom defects in unpassivated armchair arsenene nanoribbon, the peak-to-valley ratio of the negative differential resistance behavior can be enlarged obviously, which opens another way for the application of arsenene-based devices with a high switching ratio. (C) 2019 Elsevier B.V. All rights reserved.

语种： 英文

作者： Hu, Qi;Fan, Zhiqiang;Huang, Anping*;Zhang, Xinjiang;Zhao, Rumeng;...

期刊： Journal of Applied Physics,2019年126(6):065104 ISSN：0021-8979

通讯作者： Huang, Anping;Jiang, Xiangwei

作者机构： [Zhang, Xinjiang; Shi, Hongliang; Dou, Wenzhen; Xiao, Zhisong; Ji, Yuhang; Zhao, Rumeng; Huang, Anping; Gao, Qin; Wang, Mei; Hu, Qi] Beihang Univ, Sch Phys, Beijing 100191, Peoples R China.;[Jiang, Xiangwei; Fan, Zhiqiang] Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China.;[Fan, Zhiqiang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Hunan, Peoples R China.;[Chu, Paul K.] City Univ Hong Kong, Dept Phys, Dept Mat Sci & Engn, Kowloon, Tat Chee Ave, Hong Kong, Peoples R China.;[Chu, Paul K.] City Univ Hong Kong, Dept Biomed Engn, Kowloon, Tat Chee Ave, Hong Kong, Peoples R China.

通讯机构： [Huang, Anping] B;[Jiang, Xiangwei] C;Beihang Univ, Sch Phys, Beijing 100191, Peoples R China.;Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China.

关键词： Density functional theory;Ag atoms;Antagonistic interactions;Conductive mechanisms;Multicomponents;Non-equilibrium Green's function;Transmission coefficients;Oxygen vacancies

摘要： The transport properties of Ag/Ta2O5/Pt with coexisting interstitial Ag and oxygen vacancies are examined by density-functional theory and nonequilibrium Green's function calculation. The results show that the coexistence of interstitial Ag and oxygen vacancies results in a reduced transmission coefficient, implying an antagonistic interaction between Ag and oxygen vacancies. Interstitial Ag atoms may take the position of oxygen vacancies and block the oxygen vacancy channel. Alternatively, oxygen vacancies attract electrons from nearby Ag channels thereby reducing the conductance. By comparing the different dual-component channels, it is found that Ag and oxygen vacancies tend to form a complete oxygen vacancy channel with a few Ag atoms giving rise to higher conductance. Our calculation reveals a competitive conductive mechanism of interstitial Ag and oxygen vacancies and a promising strategy to investigate multicomponent channels and improve the design of future synaptic devices. © 2019 Author(s).

语种： 英文

作者： Sheng, R. Q.;Sun, L.;Deng, X. Q.*;Fan, Z. Q.;Zhang, Z. H.

期刊： Solid State Communications,2019年297:27-33 ISSN：0038-1098

通讯作者： Deng, X. Q.

作者机构： [Sheng, R. Q.; Fan, Z. Q.; Zhang, Z. H.; Sun, L.; Deng, X. Q.] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.

通讯机构： [Deng, X. Q.] C;Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.

关键词： Semiconductors;Magnetism;Spin-filtering;First-principles calculation

摘要： Inducing magnetism for arsenene is important for developing high-performance spintronic devices. Here, we investigate the electronic and magnetic properties of armchair arsenene nanoribbons doped with transition metal Mn atom by the ab initio electronic structure calculations and quantum transport simulations. It is found that such structures are stable by calculated formation energy and molecular dynamics simulation. Magnetic states can be obtained by doping Mn atom in such ribbons at different doping-positions with the distance from the Mn atom to the ribbon edges. AAsNR-Mn experiences a transition from a half-semiconductor to a half-metal by applying an external electric field. Moreover, it possesses an outstanding magnetic device nature, such as perfect spin filtering effect (100%), and a spin-valve feature with giant magnetoresistance (GMR)approaching 106%. Our calculation indicates AAsNRs-Mn has a promising application for multifunctional spintronic devices. © 2019 Elsevier Ltd

语种： 英文

作者： Li, Y. H.;Yuan, P. F.;Fan, Z. Q.;Zhang, Z. H.*

期刊： Organic Electronics,2018年59:306-313 ISSN：1566-1199

通讯作者： Zhang, Z. H.

作者机构： [Yuan, P. F.; Li, Y. H.; Fan, Z. Q.; Zhang, Z. H.] Changsha Univ Sci & Technol, Inst Nanomat & Nanostruct, Changsha 410114, Hunan, Peoples R China.

通讯机构： [Zhang, Z. H.] C;Changsha Univ Sci & Technol, Inst Nanomat & Nanostruct, Changsha 410114, Hunan, Peoples R China.

关键词： Atoms;Carrier mobility;Electronic properties;Electronic structure;Graphene;Coupling effect;Edge termination;Energetic stability;Functionalized;Graphene nano-ribbon;Graphene nanoribbons;Nanoelectronic devices;Size effects;Nanoribbons

摘要： Penta-graphene has been widely studied recently due to its superior properties for promising applications. We here theoretically investigate electronic property and carrier mobility for four kinds of penta-graphene nanoribbons (P-GNRs) terminated with nonmetallic atom (H, N, P, O, S and F) at two edges (one part of P-GNR surface). The calculations show that these ribbon possess a favorable energetic stability and thermal stability. Interestingly, three kinds of ribbons (ZZ-, ZA-, and AA-types) with these terminations have a basically similar electronic structure, only with terminations O and S, they can be semiconductors, whereas other are metals or quasi-metals. The remaining ribbon (SS-type) can maintained to be semiconductors for all types of termination situations. These behaviors are intimately related to the suppression of the edge states of edge C atoms due to the coupling effects of termination atoms. In particular, these ribbons also hold a rich carrier mobility feature from ∼101 to ∼104 cm2 V−1 s−1 at room temperature depending on termination atoms. The S atom termination can lead to a significant carrier polarity for all the ribbons, and size effects of ribbons on carrier mobility also is clearly observed as well. These findings suggests that the functionalized P-GNRs might hold promising potential applications in nanoelectronic devices. © 2018

语种： 英文

作者： Xie, Fang*;Song, Chang-Kun;Zhang, Xiao-Jiao;Liu, Jian-Ping;Wang, Hai-Yan;...

期刊： Chemical Physics Letters,2018年713:26-31 ISSN：0009-2614

通讯作者： Xie, Fang;Fan, Zhi-Qiang

作者机构： [Song, Chang-Kun; Zhang, Xiao-Jiao; Wang, Hai-Yan; Xie, Fang; Liu, Jian-Ping] Yichun Univ, Phys Sci & Engn Technol Coll, Yichun 336000, Peoples R China.;[Xie, Hai-Qing; Fan, Zhi-Qiang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.

通讯机构： [Xie, Fang] Y;[Fan, Zhi-Qiang] C;Yichun Univ, Phys Sci & Engn Technol Coll, Yichun 336000, Peoples R China.;Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.

摘要： In present work, we have studied the electronic transport properties of a single diketopyrrolopyrrole molecule connected to the gold electrode or the zigzag graphene nanoribbon electrode via the benzene or the pyrene by performing first-principle quantum transport calculations. The results show that the conductance of the single diketopyrrolopyrrole molecular device can be modulated by changing the electrode. Remarkable negative differential resistance behavior can be found in the single diketopyrrolopyrrole molecular device with zigzag graphene nanoribbon electrode. In addition, we find that the anchoring groups play an important role in the magnitude of the device's current. © 2018

语种： 英文

作者： Fan, Zhi-Qiang;Chen, Jiezhi*;Jiang, Xiangwei

期刊： Journal of Physics D: Applied Physics,2018年51(33):335104 ISSN：0022-3727

通讯作者： Chen, Jiezhi

作者机构： [Fan, Zhi-Qiang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.;[Jiang, Xiangwei; Fan, Zhi-Qiang] Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China.;[Chen, Jiezhi] Shandong Univ, Sch Informat Sci & Engn, Jinan 250100, Peoples R China.

通讯机构： [Chen, Jiezhi] S;Shandong Univ, Sch Informat Sci & Engn, Jinan 250100, Peoples R China.

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关键词： Calculations;Density functional theory;Electronic structure;Energy gap;Metals;Quantum chemistry;Quantum electronics;Selenium compounds;Semiconductor junctions;Ab-initio electronic structure calculations;Interfacial property;Optoelectronic applications;Quantum transport simulations;rectification;Schottky contacts;Tunable rectification;Two Dimensional (2 D);Germanium compounds

摘要： Two-dimensional (2D) semiconductors present great potential for electronic and optoelectronic applications due to their uniform thickness and tunable band gaps. Using ab initio electronic structure calculations and quantum transport simulations, we demonstrate the asymmetric metal contact design in the case of 2D GeSe, with a systematic study of the interfacial properties and transport properties of three common metal contacts (Ag, Au, and Pd) to the 2D semiconductor. Because of the different work functions, Ag contacted to GeSe forms n-type Schottky contact, while Pd forms p-type Schottky contact, respectively, and the reversed rectifying behaviors can be found in the I-V characteristics of symmetric contacted Ag-GeSe-Ag and Pd-GeSe-Pd junctions. More importantly, rectifying behaviors in both junctions can be significantly enhanced by the design of asymmetric metal contact (with the right-side electrode being replaced by Au). Our results are very helpful for the further design of the transistors based on 2D GeSe. © 2018 IOP Publishing Ltd.

语种： 英文

作者： Yuan, P. F.;Hu, R.;Fan, Z. Q.;Zhang, Z. H.*

期刊： JOURNAL OF PHYSICS-CONDENSED MATTER,2018年30(44):445802 ISSN：0953-8984

通讯作者： Zhang, Z. H.

作者机构： [Yuan, P. F.; Fan, Z. Q.; Zhang, Z. H.; Hu, R.] Changsha Univ Sci & Technol, Inst Nanomat & Nanostruct, Changsha 410114, Hunan, Peoples R China.

通讯机构： [Zhang, Z. H.] C;Changsha Univ Sci & Technol, Inst Nanomat & Nanostruct, Changsha 410114, Hunan, Peoples R China.

关键词： Astrophysics;Calculations;Electric fields;Free energy;Functional groups;Gibbs free energy;Magnetic materials;Magnetism;Metals;Nanoribbons;Critical electric field;Experimental realizations;External electric field;First-principles calculation;Half metals;Magnetic nanomaterials;Magnetic phase transitions;phagraphene nanoribbon;Electric switches

摘要： Magnetic nanomaterials with the desirable nature are the basis for developing future spintronic devices, and research for them is of fundamental interest. Here, we explore the realization of half-metallicity and magnetic phase transition for phagraphene nanoribbons in virtue of functional groups (OH and CN) with different coverage fractions and external electric fields. The first-principles calculations show that a single-edge CN functionalization only makes a intrinsic spin-degenerate semiconducting ribbon converted to a quasi-metal or metal, while a single-edge OH modification leads to an occurrence of the half-semiconducting nature regardless of the coverage fraction of groups. Interestingly, the half-metal behavior for the CN and OH double-edge modified ribbons can be achieved either in the zero-electric-field intrinsic state for most of functionalized systems or at a very low electric field, 0.1 V Å-1. More importantly, the observed critical electric field for the transition from ferromagnetic to nonmagnetic phase is lowered significantly almost for all systems, this benefits to design a low electric-field-controlling magnetic switch which can reversibly work between both magnetic and nonmagnetic states. The calculated Gibbs free energy confirms that the group-modified ribbons generally hold a more favorable energy stability in most of the cases, facilitating likely experimental realization. © 2018 IOP Publishing Ltd.

语种： 英文

作者： Dong, Q. X.;Hu, R.*;Fan, Z. Q.;Zhang, Z. H.*

期刊： Carbon,2018年130:206-214 ISSN：0008-6223

通讯作者： Hu, R.;Zhang, Z. H.

作者机构： [Dong, Q. X.; Hu, R.; Zhang, Z. H.; Fan, Z. Q.] Changsha Univ Sci & Technol, Inst Nanomat & Nanostruct, Changsha 410114, Hunan, Peoples R China.

通讯机构： [Hu, R; Zhang, ZH] C;Changsha Univ Sci & Technol, Inst Nanomat & Nanostruct, Changsha 410114, Hunan, Peoples R China.

关键词： Carrier mobility;Electronic structure;Phagraphene nanoribbons;Transport properties

摘要： A new carbon-based mono-layer atomic crystal, phagraphene, was proposed recently, which has received increasing attention. We here consider variations of edge chemistry for a phagraphene nanoribbon, and also explore to expand its functional properties, some typical nonmetallic atoms are used as ribbon-edge terminations. With these edge chemistry, the bandgap of ribbons may be nearly unchanged, increased, or decreased as compared with the bare-edge ribbon, and even a quasi-metal or metal arises, presenting rich and flexibly tunable electronic structures. For these features, new emerging hybridized state subbands upon edge terminations between two intrinsic subbands play an important role. In particular, by several types of termination atoms, ribbons exhibit significantly enhanced carrier mobility, and diverse edge terminations can effectively control the carrier mobility to a difference of three orders of magnitude, which can be used to explain the fact that the various measured mobility is quite different for the same nanomaterial when synthesized by different ways. Furthermore, the introduction of non-hydrogenation terminations can substantially improve the electronic transport features of ribbon, such as a appearance of impressive negative differential resistance phenomena. These studies suggest that resulting structures presented here might possess promising applications in future electronics. © 2018 Elsevier Ltd

语种： 英文

作者： Su, ShaoLong;Gong, Jian*;Fan, Zhi-Qiang*

期刊： RSC Advances,2018年8(55):31255-31260 ISSN：2046-2069

通讯作者： Gong, Jian;Fan, Zhi-Qiang

作者机构： [Gong, Jian; Su, ShaoLong] Inner Mongolia Univ, Sch Phys Sci & Technol, Hohhot 010021, Peoples R China.;[Fan, Zhi-Qiang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.

通讯机构： [Gong, Jian] I;[Fan, Zhi-Qiang] C;Inner Mongolia Univ, Sch Phys Sci & Technol, Hohhot 010021, Peoples R China.;Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.

摘要： Using first principles density functional theory, we perform a systematic study of the band structures of passivated zigzag phosphorene nanoribbons (ZPNRs) and the transport properties of in-plane metal-semiconductor junctions. It is found that the ZPNR passivated by H, Cl or F atoms is a semiconductor, and the ZPNR passivated by C, O or S atoms is a metal. Therefore, ZPNRs with different passivated atoms can be fabricated into an in-plane metal-semiconductor junction. The calculated current-voltage characteristics indicate that these in-plane metal-semiconductor junctions can exhibit excellent rectification behavior. More importantly, we find that the type of passivated atom plays a very important role in the rectification ratio of this in-plane metal-semiconductor junction. The findings are very useful for the further design of functional nanodevices based on ZPNRs. © 2018 The Royal Society of Chemistry.

语种： 英文

作者： He, Jun;Zhang, Lifu*;Fan, Zhi-Qiang;Fan, Dianyuan

期刊： AIP Advances,2018年8(9):095006 ISSN：2158-3226

通讯作者： Zhang, Lifu

作者机构： [Fan, Dianyuan; Zhang, Lifu; He, Jun] Shenzhen Univ, Coll Optoelect Engn, Int Collaborat Lab Mat Optoelect Sci & Technol 2D, Key Lab Optoelect Devices & Syst,Minist Educ & Gu, Shenzhen 518060, Peoples R China.;[He, Jun] Hunan Univ Technol, Sch Sci, Zhuzhou 412008, Peoples R China.;[Fan, Zhi-Qiang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.

通讯机构： [Zhang, Lifu] S;Shenzhen Univ, Coll Optoelect Engn, Int Collaborat Lab Mat Optoelect Sci & Technol 2D, Key Lab Optoelect Devices & Syst,Minist Educ & Gu, Shenzhen 518060, Peoples R China.

摘要： By applying nonequilibrium Green's function in combination with the density-functional theory, we investigate the electronic transport properties of boron or nitrogen doped zigzag phagraphene nanoribbon junctions. Our calculated results show that the negative differential resistance effect could be observed in zigzag phagraphene nanoribbon junction. Moreover, the peak to valley ratio of the negative differential resistance significantly increase from 1.6 to 111.32, when the junction is doped by boron atoms. We rationalize the mechanism leading to negative differential resistance by providing a detailed analysis of transmission spectra and transmission pathways. © 2018 Author(s).

语种： 英文

作者： 范志强;姚静

期刊： 高教学刊,2018年(19):100-102 ISSN：2096-000X

作者机构： 长沙理工大学 物理与电子科学学院,湖南 长沙,410114;[姚静; 范志强] 长沙理工大学

关键词： 大学物理实验;网络教学平台;教学实践

摘要： 文章对长沙理工大学网络教学平台的各项模块进行了详细的阐述, 讨论其各项功能在大学物理实验课程中的应用, 通过近年来的研究实践得到了一些有意义的研究结果, 可以为今后大学物理实验课程的改革提供有益的借鉴.

语种： 中文

作者： 范志强;姚静

期刊： 高教学刊,2018年(20):70-72 ISSN：2096-000X

作者机构： 长沙理工大学 物理与电子科学学院,湖南 长沙,410114;[姚静; 范志强] 长沙理工大学

关键词： 应用型本科;大类招生;物理专业;培养方案

摘要： 文章对近年来物理专业的人才需求状况及物理专业发展现状进行分析,结合长沙理工大学在信息科学大类招生下物理专业人才培养的实际情况,阐明了信息科学大类招生下分类培养的必要性,对应用型本科物理专业人才培养模式、培养方案进行了有益的研究与探索,可以为今后工科院校物理专业人才培养的改革与实践提供有益借鉴。

语种： 中文

作者： Hu, R.;Wang, D.*;Fan, Z. Q.;Zhang, Z. H.*

期刊： PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2018年20(19):13574-13579 ISSN：1463-9076

通讯作者： Wang, D.;Zhang, Z. H.

作者机构： [Wang, D; Zhang, Z. H.; Wang, D.; Fan, Z. Q.; Hu, R.] Changsha Univ Sci & Technol, Inst Nanomat & Nanostruct, Changsha 410114, Hunan, Peoples R China.

通讯机构： [Wang, D; Zhang, ZH] C;Changsha Univ Sci & Technol, Inst Nanomat & Nanostruct, Changsha 410114, Hunan, Peoples R China.

摘要： One-dimensional phosphorus nanotubes (PNTs) are important derivatives of phosphorene. Herein, the magneto-electronic properties for PNTs doped with low-concentration transition metals (TM) (Fe, Co, and Ni) both in their inner and outer layers were investigated in detail. TM-PNTs are very stable with high structural integrity and versatile magnetic properties. In particular, some important magnetic properties such as half-metallic and dilute magnetic semiconducting behaviors can be observed, which are the basis of the application of TM-PNTs in spintronics. Furthermore, the electric field can induce magnetic phase transitions and demagnetization can occur under a very low electric field due to Co-doping in the outer layer of the PNTs. This interesting feature is very attractive for constructing electric-field-controllable magnetic/nonmagnetic switch devices that are operated in two possible states.

语种： 英文