arXiv: Materials Science最新文献_第8页

Skew scattering and side jump of spin wave across magnetic texture 磁结构中自旋波的斜散射和侧跳

arXiv: Materials Science Pub Date : 2020-10-09 DOI: 10.1103/PHYSREVB.103.054428

Jin Lan, Jiang Xiao

引用次数: 11

Vacancy defects induced changes in the electronic and optical properties of NiO studied by spectroscopic ellipsometry and first-principles calculations 利用椭圆偏振光谱和第一性原理计算研究了空位缺陷引起的NiO电子和光学性质的变化

arXiv: Materials Science Pub Date : 2020-10-07 DOI: 10.1063/5.0021650

K. Egbo, C. Liu, C. Ekuma, K. Yu

{"title":"Vacancy defects induced changes in the electronic and optical properties of NiO studied by spectroscopic ellipsometry and first-principles calculations","authors":"K. Egbo, C. Liu, C. Ekuma, K. Yu","doi":"10.1063/5.0021650","DOIUrl":"https://doi.org/10.1063/5.0021650","url":null,"abstract":"Native defects in semiconductors play an important role in their optoelectronic properties. Nickel oxide (NiO) is one of the few wide-gap p-type oxide semiconductors and its conductivity is believed to be controlled primarily by Ni-vacancy acceptors. Herein, we present a systematic study comparing the optoelectronic properties of stoichiometric NiO, oxygen-rich NiO with Ni vacancies (NiO:VNi), and Ni-rich NiO with O vacancies (NiO:VO). The optical properties were obtained by spectroscopic ellipsometry, while valence band spectra were probed by high-resolution x-ray photoelectron spectroscopy. The experimental results are directly compared to first-principles density functional theory + U calculations. Computational results confirm that gap states are present in both NiO systems with vacancies. Gap states in NiO:Vo are predominantly Ni 3d states, while those in NiO:VNi are composed of both Ni 3d and O 2p states. The absorption spectra of the NiO:VNi sample show significant defect-induced features below 3.0 eV compared to NiO and NiO:VO samples. The increase in sub-gap absorptions in NiO:VNi can be attributed to gap states observed in the electronic density of states. The relation between native vacancy defects and electronic and optical properties of NiO are demonstrated, showing that at similar vacancy concentration, the optical constants of NiO:VNi deviate significantly from those of NiO:VO. Our experimental and computational results reveal that although VNi are effective acceptors in NiO, they also degrade the visible transparency of the material. Hence, for transparent optoelectronic device applications, an optimization of native VNi defects with extrinsic doping is required to simultaneously enhance p-type conductivity and transparency.","PeriodicalId":8467,"journal":{"name":"arXiv: Materials Science","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79107371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 34

Effects of Antimony Deposition on Field-Emission Current Density of Ge/Si 锑沉积对Ge/Si场发射电流密度的影响

arXiv: Materials Science Pub Date : 2020-10-07 DOI: 10.1115/1.4050208

V. Burobina

引用次数: 0

Imaging Topological Spin Structures Using Light-Polarization and Magnetic Microscopy 利用光偏振和磁显微镜成像拓扑自旋结构

arXiv: Materials Science Pub Date : 2020-10-07 DOI: 10.1103/PHYSREVAPPLIED.15.024040

Till Lenz, G. Chatzidrosos, Zhiyuan Wang, L. Bougas, Y. Dumeige, A. Wickenbrock, Nico Kerber, J. Z'azvorka, Fabian Kammerbauer, M. Kläui, Zeeshawn Kazi, K. Fu, K. Itoh, H. Watanabe, D. Budker

引用次数: 16

Identification of LiNi and VNi acceptor levels in doped nickel oxide 掺杂氧化镍中LiNi和VNi受体水平的鉴定

arXiv: Materials Science Pub Date : 2020-10-06 DOI: 10.1063/5.0032102

R. Karsthof, H. von Wenckstern, V. S. Olsen, M. Grundmann

引用次数: 3

N-polar GaN/AlN resonant tunneling diodes n极GaN/AlN谐振隧道二极管

arXiv: Materials Science Pub Date : 2020-10-05 DOI: 10.1063/5.0022143

Yongjin Cho, J. Encomendero, S. Ho, H. Xing, D. Jena

引用次数: 4

Transversal flexoelectric coefficient for nanostructures at finite deformations from first principles 基于第一性原理的有限变形纳米结构横向挠曲电系数

arXiv: Materials Science Pub Date : 2020-10-05 DOI: 10.1103/PHYSREVMATERIALS.5.L030801

D. Codony, I. Arias, Phanish Suryanarayana

引用次数: 24

Ternary hypervalent silicon hydrides via lithium at high pressure 高压下三元高价硅氢化物

arXiv: Materials Science Pub Date : 2020-10-04 DOI: 10.1103/physrevmaterials.4.113607

Tianxiao Liang, Zihan Zhang, Xiaolei Feng, Haojun Jia, C. Pickard, Simon A. T. Redfern, D. Duan

引用次数: 5

Angle-dependence of interlayer coupling in twisted transition metal dichalcogenide heterobilayers 扭曲过渡金属二硫系异质层层间耦合的角度依赖性

arXiv: Materials Science Pub Date : 2020-10-02 DOI: 10.1021/acs.jpcc.0c09372.s001

W. Geng, V. Wang, J. Lin, T. Ohno, J. Nara

引用次数: 2

A molecular dynamics investigation of mechanical properties of graphene reinforced iron composite and the effect of vacancy defect distance from the matrix-fiber interface 石墨烯增强铁复合材料力学性能的分子动力学研究及空位缺陷距离对基体-纤维界面的影响

arXiv: Materials Science Pub Date : 2020-10-01 DOI: 10.1063/5.0037502

Raashiq Ishraaq, Mahmudur Rashid, A. Afsar

{"title":"A molecular dynamics investigation of mechanical properties of graphene reinforced iron composite and the effect of vacancy defect distance from the matrix-fiber interface","authors":"Raashiq Ishraaq, Mahmudur Rashid, A. Afsar","doi":"10.1063/5.0037502","DOIUrl":"https://doi.org/10.1063/5.0037502","url":null,"abstract":"Graphene is a material of excellent mechanical properties, which make it an ideal fiber for reinforcing metal. Since iron is the most used metal in the world, reinforcing iron with graphene can reduce the overall requirement of material in any application where strength is demanded. However, the effect of graphene reinforcement on the mechanical properties of iron needs to be known before the industrial application of the composite. In this paper, we have investigated the mechanical properties of graphene-reinforced iron composite by Molecular Dynamics (MD) method for various conditions. The properties were investigated by applying uniaxial tension on a modeled representative volume element (RVE). The effect of temperature on the mechanical property of the composite was also studied because the knowledge is required for manufacturing products with the composite operating at a wide temperature range. MD analysis also revealed that the initiation of fracture is from the matrix-fiber interface. We also investigated how the distance of vacancy defects from the matrix-fiber interface affects the mechanical properties of the composite, which can be used to select a suitable manufacturing process. The results obtained from this study show that vacancy defects lower the strength at a greater extent as it gets closer to the interface.","PeriodicalId":8467,"journal":{"name":"arXiv: Materials Science","volume":"79 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73046823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1