Condensed Matter最新文献_第5页

Nanoscale Structural Phase Transitions in Aqueous Solutions of Organic Molecules 有机分子水溶液中的纳米级结构相变

IF 1.7

Condensed Matter Pub Date : 2023-07-26 DOI: 10.3390/condmat8030064

N. Bunkin, L. Sabirov, D. Semenov, F. Ismailov, M. Khasanov

引用次数: 0

Exploring Photonic Crystals: Band Structure and Topological Interface States 探索光子晶体：能带结构和拓扑界面态

IF 1.7

Condensed Matter Pub Date : 2023-07-25 DOI: 10.3390/condmat8030063

M. de Dios‐Leyva, Andy Márquez-González, C. Duque

引用次数: 0

The Synthesis of C70 Fullerene Nanowhiskers Using the Evaporating Drop Method 蒸发液滴法合成C70富勒烯纳米晶须

IF 1.7

Condensed Matter Pub Date : 2023-07-24 DOI: 10.3390/condmat8030062

Sagdulla A. Bakhramov, U. Makhmanov, Bobirjon A. Aslonov

引用次数: 0

Multiband Superconductivity in High-Pressure Sulfur Hydrides 高压硫氢化物中的多带超导性

IF 1.7

Condensed Matter Pub Date : 2023-07-20 DOI: 10.3390/condmat8030069

G. Ummarino, A. Bianconi

引用次数: 0

Structural, Electronic, and Optical Properties of Wurtzite VxAl1−xN Alloys: A First-Principles Study 纤锌矿VxAl1−xN合金的结构、电子和光学性质:第一性原理研究

IF 1.7

Condensed Matter Pub Date : 2023-07-19 DOI: 10.3390/condmat8030061

G. E. Escorcia-Salas, Diego Restrepo-Leal, Oscar Martinez-Castro, W. López‐Pérez, J. Sierra-Ortega

{"title":"Structural, Electronic, and Optical Properties of Wurtzite VxAl1−xN Alloys: A First-Principles Study","authors":"G. E. Escorcia-Salas, Diego Restrepo-Leal, Oscar Martinez-Castro, W. López‐Pérez, J. Sierra-Ortega","doi":"10.3390/condmat8030061","DOIUrl":"https://doi.org/10.3390/condmat8030061","url":null,"abstract":"We present a comprehensive study on the structural, electronic, and optical properties of VxAl1−xN ternary alloys using first-principles calculations. Our investigations employ the full-potential linearized augmented-plane-wave (FP-LAPW) method within the density functional theory (DFT) framework. The impact of varying vanadium composition (x = 0, 0.25, 0.5, 0.75, 1) on the structural, electronic, and optical characteristics of wurtzite VxAl1−xN alloys is examined in detail. Our findings reveal a distinct nonlinear relationship between the lattice constant, bulk modulus, and the concentration of vanadium (x) in the VxAl1−xN alloys. An analysis of the electronic band structures and densities of states reveals a metallic behavior in the VxAl1−xN alloys, primarily driven by the V-d states near the Fermi energy. These results shed light on the electronic properties of the alloys, contributing to a deeper understanding of their potential for various applications. Furthermore, we calculate various optical properties, including the real and imaginary dielectric functions, refractive index, energy loss spectrum, and reflectivity. The obtained optical functions provide valuable insights into the optical behavior of the VxAl1−xN alloys. The results contribute to the fundamental knowledge of these materials and their potential applications in various fields.","PeriodicalId":10665,"journal":{"name":"Condensed Matter","volume":" ","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44453798","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: 0

Theoretical Study of Electronic and Thermal Transport Properties through a Single-Molecule Junction of Catechol 邻苯二酚单分子结的电子和热输运性质的理论研究

IF 1.7

Condensed Matter Pub Date : 2023-07-15 DOI: 10.3390/condmat8030060

E. Y. Soto-Gómez, Judith Helena Ojeda Silva, J. A. Gil-Corrales, Daniel Gallego, Mikel F. Hurtado Morales, Á. Morales, C. Duque

引用次数: 0

On the Optical Properties of Cr2Ge2Te6 and Its Heterostructure Cr2Ge2Te6的光学性质及其异质结构

IF 1.7

Condensed Matter Pub Date : 2023-07-14 DOI: 10.3390/condmat8030059

H. Idzuchi, A. E. Llacsahuanga Allcca, A. Haglund, X. Pan, T. Matsuda, K. Tanigaki, D. Mandrus, Yong P Chen

{"title":"On the Optical Properties of Cr2Ge2Te6 and Its Heterostructure","authors":"H. Idzuchi, A. E. Llacsahuanga Allcca, A. Haglund, X. Pan, T. Matsuda, K. Tanigaki, D. Mandrus, Yong P Chen","doi":"10.3390/condmat8030059","DOIUrl":"https://doi.org/10.3390/condmat8030059","url":null,"abstract":"Recently, there has been a growing interest in two-dimensional van der Waals (vdW) magnets owing to their unique two-dimensional magnetic phenomena and potential applications. Most vdW ferromagnets have the Curie temperature below room temperature, highlighting the need to explore how to enhance their magnetism. In our previous report, we successfully increased the Curie temperature of the prototypical vdW magnet Cr2Ge2Te6 using a NiO overlayer. In layered materials, the presence of wrinkles is often observed and evaluating them using optical microscopy proves to be useful; however, there have been limited investigations into the optical constants of vdW magnets, hampering progress in understanding their optical properties. In this study, we present the optical constants of Cr2Ge2Te6 obtained through ellipsometry measurements. To account for the presence of wrinkles, we model a vacuum region between the substrate and the vdW magnet, and we calculate the reflectivity as a function of wavelength and vacuum thickness to visualize the optical image. Furthermore, we discuss the relationship between the optical constants and the electronic structure of the material.","PeriodicalId":10665,"journal":{"name":"Condensed Matter","volume":" ","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45701622","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: 0

The Effect of Acyl Chain Position on the 2D Monolayer Formation of Monoacyl-sn-Glycerol at the Air/Water Interface: Quantum Chemical Modeling 在空气/水界面上酰基链位置对单酰基-sn-甘油二维单层形成的影响:量子化学模型

IF 1.7

Condensed Matter Pub Date : 2023-07-13 DOI: 10.3390/condmat8030058

E. S. Kartashynska

{"title":"The Effect of Acyl Chain Position on the 2D Monolayer Formation of Monoacyl-sn-Glycerol at the Air/Water Interface: Quantum Chemical Modeling","authors":"E. S. Kartashynska","doi":"10.3390/condmat8030058","DOIUrl":"https://doi.org/10.3390/condmat8030058","url":null,"abstract":"This paper deals with the results of quantum chemical modeling of the monoacyl-sn-glycerol 2D cluster formation at the air/water interface using a semi-empirical PM3 method. The impact of the 2 or 3 positions of the acyl substituent on the thermodynamics of the monolayer formation is assessed for surfactants with an acyl substituent CnH2n+1COO chain length of n = 6–17 carbon atoms. The calculation shows a significant change in the spontaneous clusterization threshold for isomeric compounds, which differs only in the position of the acyl substituent with respect to the glycerol backbone. This change is almost equal to substituent shortening by approximately two methylene fragments. At the same time, the geometric parameters of the unit cell for resulting monolayers are not affected so drastically. The 2D films in question possess an oblique or orthorhombic unit cell with parameters for 2 and 3-monoacyl-sn-glycerol monolayers, as follows: a = 4.91 Å and 4.82 Å and b = 5.00 Å and 4.92 Å, with hydrocarbon chains tilted at t = 23.0° and 23.5°. The calculated results are in accordance with existing experimental data obtained using grazing incidence X-ray diffraction measurements and the π-A isotherm technique.","PeriodicalId":10665,"journal":{"name":"Condensed Matter","volume":" ","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48428284","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: 0

Tensile Microstrain Fluctuations in the BaPbO Units in Superconducting BaPb1−xBixO3 by Scanning Dispersive Micro-XANES 扫描分散微XANES研究BaPb1−xBixO3超导材料中BaPbO单元的拉伸微应变

IF 1.7

Condensed Matter Pub Date : 2023-07-11 DOI: 10.3390/condmat8030057

Ruben Albertini, S. Macis, A. Ivanov, A. Menushenkov, A. Puri, V. Monteseguro, Boby Joseph, Wei Xu, A. Marcelli, P. Giraldo-Gallo, I. Fisher, A. Bianconi, G. Campi

{"title":"Tensile Microstrain Fluctuations in the BaPbO Units in Superconducting BaPb1−xBixO3 by Scanning Dispersive Micro-XANES","authors":"Ruben Albertini, S. Macis, A. Ivanov, A. Menushenkov, A. Puri, V. Monteseguro, Boby Joseph, Wei Xu, A. Marcelli, P. Giraldo-Gallo, I. Fisher, A. Bianconi, G. Campi","doi":"10.3390/condmat8030057","DOIUrl":"https://doi.org/10.3390/condmat8030057","url":null,"abstract":"BaPb1−xBixO3 (BPBO) bismuthate, showing high TC superconductivity for 0.05 < x < 0.35, is an archetypal system for studying the complex inhomogeneity of perovskite lattice favoring the emergence of quantum coherence, called the superstripes phase. Local lattice fluctuations, detected by EXAFS; nanoscale stripes, detected by electron microscopy; and two competing crystalline structures, detected by diffraction, are known to characterize the superconducting phase. At nanoscale [BaBiO3] centered nanoscale units (BBO) coexist with BaPbO3 centered (BPO) units in the BPBO perovskite; therefore, we expect a tensile microstrain in BPO units due the misfit strain between the two different lattices. Here, we report the measurement of the spatial micro-fluctuations of the local tensile microstrain ε in the BaPO units in superconducting Ba(Pb1−xBix)O3 crystals with x1 = 0.19 an x2 = 0.28. We show here the feasibility of applying the scanning dispersive micro-X-ray absorption near edge structure (SdμXANES) technique, using focused synchrotron radiation, to probe the microscale spatial fluctuations of the microstrain in BPO units. This unconventional real-space SdμXANES microscopy at the Pb L3 edge has been collected in the dispersive mode. Our experimental method allows us to measure either the local Bi chemical concentration x and the local lattice microstrain of local BBO and BPO units. The 5 × 5 micron-size spots from the focused X-ray beam allowed us to obtain maps of 1600 points covering an area of 200 × 200 microns. The mapping shows a substantial difference between the spatial fluctuations of the microstrain ε and the chemical inhomogeneity x. Moreover, we show the different relations ε(x) in samples with lower (x1 = 0.19) and higher (x2 = 0.28) doping respect to the optimum doping (x = 0.25).","PeriodicalId":10665,"journal":{"name":"Condensed Matter","volume":" ","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49302747","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: 0

Tc Saturation and Possible Electronic Phase Separation in Strongly Overdoped Cuprates 强过量掺杂铜酸盐中的Tc饱和和可能的电子相分离

IF 1.7

Condensed Matter Pub Date : 2023-07-05 DOI: 10.3390/condmat8030056

A. Hemmatzade, E. Medina, L. Delbes, B. Baptiste, D. Hrabovský, Y. Klein, S. Conradson, M. Karppinen, A. Gauzzi

引用次数: 0