首页 > 最新文献

physica status solidi (b)最新文献

英文 中文
Role of spatial impurity spread on the transition dynamics of doped GaAs quantum dot in presence of noise 噪声存在下空间杂质扩散对掺杂GaAs量子点跃迁动力学的影响
Pub Date : 2023-08-30 DOI: 10.1002/pssb.202300281
Swarnab Datta, Bhaskar Bhakti, M. Ghosh
Present enquiry thoroughly explores the time‐average population transfer rate (TAPTR) of impurity doped GaAs quantum dot (QD) pursuing the change in the spatial impurity spread (SIS). The said excitation rate has been studied under the supervision of Gaussian white noise (GWN). The promotion of the ground state electronic density takes place due to different types of time‐changing fluctuations viz. simple sinusoidal field, time‐dependent confinement potential and time‐dependent magnetic field. GWN couples with the QD by additive and multiplicative modes. The work examines the joint influence of SIS, GWN and its pathway of inclusion and the nature of the time‐dependent perturbations on the attributes of the TAPTR. The TAPTR curves are composed of steadfast rise, steadfast diminish, maximization (relevant to generation of large nonlinear optical properties), minimization and saturation (suggesting dynamic freezing). The findings elucidate the means of fine‐tuning the TAPTR among the doped GaAs QD eigenstates in presence of noise, when the SIS undergoes a gradual change.This article is protected by copyright. All rights reserved.
本研究深入探讨了杂质掺杂GaAs量子点(QD)的时间平均种群迁移率(TAPTR),追求空间杂质扩散(SIS)的变化。在高斯白噪声(GWN)的监督下,研究了上述激励率。基态电子密度的提高是由于不同类型的随时间变化的涨落,即简单正弦场、随时间变化的约束势和随时间变化的磁场。GWN通过加性和乘性模式与量子点耦合。这项工作考察了SIS、GWN及其包涵途径的联合影响,以及时间依赖性扰动对TAPTR属性的性质。TAPTR曲线由稳定上升、稳定下降、最大化(与产生大的非线性光学特性有关)、最小化和饱和(暗示动态冻结)组成。研究结果阐明了在存在噪声的情况下,当SIS逐渐变化时,在掺杂的GaAs QD本征态之间微调TAPTR的方法。这篇文章受版权保护。版权所有。
{"title":"Role of spatial impurity spread on the transition dynamics of doped GaAs quantum dot in presence of noise","authors":"Swarnab Datta, Bhaskar Bhakti, M. Ghosh","doi":"10.1002/pssb.202300281","DOIUrl":"https://doi.org/10.1002/pssb.202300281","url":null,"abstract":"Present enquiry thoroughly explores the time‐average population transfer rate (TAPTR) of impurity doped GaAs quantum dot (QD) pursuing the change in the spatial impurity spread (SIS). The said excitation rate has been studied under the supervision of Gaussian white noise (GWN). The promotion of the ground state electronic density takes place due to different types of time‐changing fluctuations viz. simple sinusoidal field, time‐dependent confinement potential and time‐dependent magnetic field. GWN couples with the QD by additive and multiplicative modes. The work examines the joint influence of SIS, GWN and its pathway of inclusion and the nature of the time‐dependent perturbations on the attributes of the TAPTR. The TAPTR curves are composed of steadfast rise, steadfast diminish, maximization (relevant to generation of large nonlinear optical properties), minimization and saturation (suggesting dynamic freezing). The findings elucidate the means of fine‐tuning the TAPTR among the doped GaAs QD eigenstates in presence of noise, when the SIS undergoes a gradual change.This article is protected by copyright. All rights reserved.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74437511","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
First‐principle study of the influences of point vacancies (VGa, Hi) on the photocatalytic and magnetic performance of Ga2O3:Li/Na/K systems 点空位(VGa, Hi)对Ga2O3:Li/Na/K体系光催化和磁性能影响的第一性原理研究
Pub Date : 2023-08-26 DOI: 10.1002/pssb.202300304
Xuefei Bai, Q. Hou, Wencai Li, Mude Qi, Yulan Gu
Under vacuum environment, an H interstitial must exist when Ga2O3 is prepared by organometallic chemistry vapor deposition. However, few first‐principle systematic studies have been conducted on the influences of point vacancies (VGa, Hi) on the photocatalytic performance and magnetism of Ga2O3: Li or Na or K systems, and VGa is a challenge in experiments. Therefore, the first‐principle generalized gradient approximation GGA + U theory was adopted in this study. A first‐principle study was conducted on the formation energy (Ef), photocatalytic performance, and magnetism of Ga30MO48 (M = Li or Na, or K) and Ga30MHiO48 systems. Results show that under Ga‐poor conditions, the Ga30MO48 and Ga30MHiO48 systems are structurally stable and prone to doping. The Ga30MHiO48 system has lower Ef, more structural stability, and easier doping than the Ga30MO48 system. The Ga30KO48 system exhibits magnetism, mainly generated by the O1−‐2p spin polarized wandering electrons near VGa. The spin polarized O2−‐2p and Ga‐4s states near VGa contribute to the hybrid coupling double‐exchange interaction. Moreover, the visible spectrum of the Ga30LiHiO48 system exhibits a significant red shift, a relatively high carrier activity, carrier separation, and relative maximum lifetime. It is relatively best as a photocatalyst.This article is protected by copyright. All rights reserved.
在真空环境下,采用有机金属化学气相沉积法制备Ga2O3时,必须存在H间隙。然而,关于点空位(VGa, Hi)对Ga2O3: Li或Na或K体系光催化性能和磁性的影响的第一性原理系统研究很少,VGa在实验中是一个挑战。因此,本研究采用第一性原理广义梯度近似GGA + U理论。对Ga30MO48 (M = Li或Na或K)和Ga30MHiO48体系的形成能(Ef)、光催化性能和磁性进行了第一性原理研究。结果表明,在Ga‐poor条件下,Ga30MO48和Ga30MHiO48体系结构稳定,易于掺杂。与Ga30MO48体系相比,Ga30MHiO48体系具有更低的Ef、更高的结构稳定性和更容易掺杂的特点。Ga30KO48体系表现出磁性,主要是由VGa附近的O1−‐2p自旋极化流浪电子产生的。VGa附近的自旋极化O2−‐2p和Ga‐‐4s态有助于杂化耦合双交换相互作用。此外,Ga30LiHiO48体系的可见光谱表现出明显的红移、相对较高的载流子活性、载流子分离和相对最大的寿命。它是相对最好的光催化剂。这篇文章受版权保护。版权所有。
{"title":"First‐principle study of the influences of point vacancies (VGa, Hi) on the photocatalytic and magnetic performance of Ga2O3:Li/Na/K systems","authors":"Xuefei Bai, Q. Hou, Wencai Li, Mude Qi, Yulan Gu","doi":"10.1002/pssb.202300304","DOIUrl":"https://doi.org/10.1002/pssb.202300304","url":null,"abstract":"Under vacuum environment, an H interstitial must exist when Ga2O3 is prepared by organometallic chemistry vapor deposition. However, few first‐principle systematic studies have been conducted on the influences of point vacancies (VGa, Hi) on the photocatalytic performance and magnetism of Ga2O3: Li or Na or K systems, and VGa is a challenge in experiments. Therefore, the first‐principle generalized gradient approximation GGA + U theory was adopted in this study. A first‐principle study was conducted on the formation energy (E\u0000f\u0000), photocatalytic performance, and magnetism of Ga30MO48 (M = Li or Na, or K) and Ga30MHiO48 systems. Results show that under Ga‐poor conditions, the Ga30MO48 and Ga30MHiO48 systems are structurally stable and prone to doping. The Ga30MHiO48 system has lower E\u0000f\u0000, more structural stability, and easier doping than the Ga30MO48 system. The Ga30KO48 system exhibits magnetism, mainly generated by the O1−‐2p spin polarized wandering electrons near VGa. The spin polarized O2−‐2p and Ga‐4s states near VGa contribute to the hybrid coupling double‐exchange interaction. Moreover, the visible spectrum of the Ga30LiHiO48 system exhibits a significant red shift, a relatively high carrier activity, carrier separation, and relative maximum lifetime. It is relatively best as a photocatalyst.This article is protected by copyright. All rights reserved.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85073694","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
Space Charge Region Beyond the Abrupt Approximation 突兀逼近之外的空间电荷区
Pub Date : 2023-08-25 DOI: 10.1002/pssb.202300257
M. Grundmann
We revisit the problem of the potential, electrical field and charge density in a space charge region. Within the Boltzmann approximation, the asymptotic solution is found analytically. The exact solution everywhere can be found from numerically integrating an analytical function. The solution is compared to the popular abrupt (or depletion) approximation and an analytical approximation is given.This article is protected by copyright. All rights reserved.
我们重新讨论了空间电荷区的电位、电场和电荷密度问题。在玻尔兹曼近似内,解析地找到了渐近解。对解析函数进行数值积分,处处都能找到精确解。将该解与流行的突变近似(或耗尽近似)进行了比较,并给出了解析近似。这篇文章受版权保护。版权所有。
{"title":"Space Charge Region Beyond the Abrupt Approximation","authors":"M. Grundmann","doi":"10.1002/pssb.202300257","DOIUrl":"https://doi.org/10.1002/pssb.202300257","url":null,"abstract":"We revisit the problem of the potential, electrical field and charge density in a space charge region. Within the Boltzmann approximation, the asymptotic solution is found analytically. The exact solution everywhere can be found from numerically integrating an analytical function. The solution is compared to the popular abrupt (or depletion) approximation and an analytical approximation is given.This article is protected by copyright. All rights reserved.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72868722","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
Electrical and Thermal Bias‐Driven Negative Magnetoresistance Effect in an Interacting Quantum Dot 相互作用量子点中电和热偏置驱动的负磁阻效应
Pub Date : 2023-08-25 DOI: 10.1002/pssb.202300266
Ruirui Bo, Yi Tang, Can Li, Zhengzhong Zhang, Hao Liu
Spin‐dependent electron transport is theoretically studied for a system with an interacting quantum dot sandwiched between a pair of ferromagnetic electrodes. By separately applying an electrical bias or a temperature gradient across the junction, a spin‐polarized current can be obtained and controlled by tuning the gate voltage. Interestingly, regardless of whether the electron transport is driven by the bias voltage or temperature difference, the current in the device always exhibits negative magnetoresistance under the control of the gate voltage. Such magnetoresistance anomalies in the current profile originate from the spin‐selective tunneling channels in quantum dots, which have been proven experimentally feasible. This device scheme is compatible with current technologies and has potential applications in spintronics or spin caloritronics.This article is protected by copyright. All rights reserved.
从理论上研究了夹在一对铁磁电极之间的相互作用量子点系统的自旋依赖电子输运。通过在结上分别施加电偏置或温度梯度,可以获得自旋极化电流,并通过调节栅电压来控制。有趣的是,无论电子输运是由偏置电压还是温差驱动,在栅极电压的控制下,器件中的电流始终表现为负磁阻。这种电流分布中的磁电阻异常源于量子点中的自旋选择性隧道通道,这已经被实验证明是可行的。该器件方案与现有技术兼容,在自旋电子学或自旋热电子学中具有潜在的应用前景。这篇文章受版权保护。版权所有。
{"title":"Electrical and Thermal Bias‐Driven Negative Magnetoresistance Effect in an Interacting Quantum Dot","authors":"Ruirui Bo, Yi Tang, Can Li, Zhengzhong Zhang, Hao Liu","doi":"10.1002/pssb.202300266","DOIUrl":"https://doi.org/10.1002/pssb.202300266","url":null,"abstract":"Spin‐dependent electron transport is theoretically studied for a system with an interacting quantum dot sandwiched between a pair of ferromagnetic electrodes. By separately applying an electrical bias or a temperature gradient across the junction, a spin‐polarized current can be obtained and controlled by tuning the gate voltage. Interestingly, regardless of whether the electron transport is driven by the bias voltage or temperature difference, the current in the device always exhibits negative magnetoresistance under the control of the gate voltage. Such magnetoresistance anomalies in the current profile originate from the spin‐selective tunneling channels in quantum dots, which have been proven experimentally feasible. This device scheme is compatible with current technologies and has potential applications in spintronics or spin caloritronics.This article is protected by copyright. All rights reserved.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83700357","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
X‐ray luminescence and thermally stimulated processes in CsI crystal CsI晶体中的X射线发光和热激发过程
Pub Date : 2023-08-25 DOI: 10.1002/pssb.202300289
Andriy Hrytsak, M. Rudko, V. Kapustianyk, Lilya Hrytsak, V. Mykhaylyk
X‐ray luminescence spectra, thermally stimulated luminescence and thermally stimulated conductivity of undoped CsI crystal were investigated in order to reach better understanding of the factors which govern the emission processes in this material. X‐ray luminescence spectra were recorded in the temperature range from 15 to 293 K. The low energy band at 2.2 eV emerging at heating above 120 K has been assigned to the emission of residual impurities. Other two bands peaking at 3.6 and 4.3 eV at 15 K were attributed to the intrinsic emission of CsI due to the self‐trapped excitons. The parameters of the peaks observed in the thermally stimulated luminescence and conductivity of CsI crystal were calculated. Investigations of the thermally stimulated processes in CsI lead to the conclusion that the increase of luminescence of 4.3 eV observed above 70 K is due to release of trapped electrons, which subsequently interact with Vk‐centers and form on‐center STEs. The considerable ionic conductivity observed above 250 K can be explained by influence of the uncontrolled impurities of divalent metal atoms as well as Na+ ions.This article is protected by copyright. All rights reserved.
研究了未掺杂CsI晶体的X射线发光光谱、热激发光和热激电导率,以便更好地了解控制该材料发射过程的因素。在15 ~ 293 K的温度范围内记录了X射线发光光谱。在120 K以上加热时出现的2.2 eV低能带被认为是残余杂质的发射。另外两个在15k时达到峰值3.6和4.3 eV的波段是由于自困激子引起的CsI的本征发射。计算了CsI晶体热激发发光峰和电导率的参数。对CsI中热激发过程的研究得出结论,在70 K以上观察到的4.3 eV的发光增加是由于捕获电子的释放,这些电子随后与Vk中心相互作用并形成中心上STEs。在250 K以上观察到的相当大的离子电导率可以用二价金属原子和Na+离子的不受控制的杂质的影响来解释。这篇文章受版权保护。版权所有。
{"title":"X‐ray luminescence and thermally stimulated processes in CsI crystal","authors":"Andriy Hrytsak, M. Rudko, V. Kapustianyk, Lilya Hrytsak, V. Mykhaylyk","doi":"10.1002/pssb.202300289","DOIUrl":"https://doi.org/10.1002/pssb.202300289","url":null,"abstract":"X‐ray luminescence spectra, thermally stimulated luminescence and thermally stimulated conductivity of undoped CsI crystal were investigated in order to reach better understanding of the factors which govern the emission processes in this material. X‐ray luminescence spectra were recorded in the temperature range from 15 to 293 K. The low energy band at 2.2 eV emerging at heating above 120 K has been assigned to the emission of residual impurities. Other two bands peaking at 3.6 and 4.3 eV at 15 K were attributed to the intrinsic emission of CsI due to the self‐trapped excitons. The parameters of the peaks observed in the thermally stimulated luminescence and conductivity of CsI crystal were calculated. Investigations of the thermally stimulated processes in CsI lead to the conclusion that the increase of luminescence of 4.3 eV observed above 70 K is due to release of trapped electrons, which subsequently interact with Vk‐centers and form on‐center STEs. The considerable ionic conductivity observed above 250 K can be explained by influence of the uncontrolled impurities of divalent metal atoms as well as Na+ ions.This article is protected by copyright. All rights reserved.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88935075","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
Vapor–Liquid–Solid Growth of Nanowires under the conditions of external faceting 外饰面条件下纳米线的气液固生长
Pub Date : 2023-08-23 DOI: 10.1002/pssb.202300090
E. Levchenko, V. Nebol’sin, V. Yuryev, Nada Swayikat
In this paper, we have considered the processes that occur at the interfaces during the nanowires (NWs) growth by the Vapor→Droplet, Liquid→Solid mechanism (VLS), and how that leads to the faceting of the sidewall surface of the NWs. It is shown that faceting is possible only when the Wetting Scenario of the VLS‐growth of the NWs is accomplished due to the exit of the oblique closed packed faces to the sidewall surface of the NWs. Those oblique closed‐packed faces emerge at the crystallization front near the triple phase line. The faceting of the sidewall surface of the NWs can be controlled (i) by changing the contact angle of the catalyst droplet on the top of the NWs with the appropriate catalysts; (ii) by introducing the impurities into the gas phase, which decreases the free surface energy of the catalyst droplet or (iii) by changing the temperature.This article is protected by copyright. All rights reserved.
在本文中,我们考虑了在纳米线(NWs)生长过程中,蒸汽→液滴、液体→固体机制(VLS)在界面上发生的过程,以及该过程如何导致NWs侧壁表面的面化。研究表明,只有当NWs的VLS生长的润湿场景完成时,由于倾斜的封闭堆积面出口到NWs的侧壁面,才有可能出现面状。这些倾斜的封闭堆积面出现在靠近三相线的结晶前沿。可通过改变纳米粒子顶部的催化剂液滴与合适催化剂的接触角来控制纳米粒子侧壁表面的面形;(ii)通过将杂质引入气相,从而降低催化剂液滴的自由表面能或(iii)通过改变温度。这篇文章受版权保护。版权所有。
{"title":"Vapor–Liquid–Solid Growth of Nanowires under the conditions of external faceting","authors":"E. Levchenko, V. Nebol’sin, V. Yuryev, Nada Swayikat","doi":"10.1002/pssb.202300090","DOIUrl":"https://doi.org/10.1002/pssb.202300090","url":null,"abstract":"In this paper, we have considered the processes that occur at the interfaces during the nanowires (NWs) growth by the Vapor→Droplet, Liquid→Solid mechanism (VLS), and how that leads to the faceting of the sidewall surface of the NWs. It is shown that faceting is possible only when the Wetting Scenario of the VLS‐growth of the NWs is accomplished due to the exit of the oblique closed packed faces to the sidewall surface of the NWs. Those oblique closed‐packed faces emerge at the crystallization front near the triple phase line. The faceting of the sidewall surface of the NWs can be controlled (i) by changing the contact angle of the catalyst droplet on the top of the NWs with the appropriate catalysts; (ii) by introducing the impurities into the gas phase, which decreases the free surface energy of the catalyst droplet or (iii) by changing the temperature.This article is protected by copyright. All rights reserved.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89353875","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
Molecular dynamics simulation of interaction between edge dislocations and stable β phase precipitates in aluminum alloy 铝合金中边缘位错与稳定β相相互作用的分子动力学模拟
Pub Date : 2023-08-19 DOI: 10.1002/pssb.202300246
Jian-yu Li, Xuchang Qiu, Shining Kong, Zhao Zhang
Stable precipitate takes the essential role for material strengthening in Al‐Mg‐Si alloys. To reveal how the stable precipitate works in material strengthening, a molecular dynamics model is carried out to show the interaction between the edge dislocations and the plate‐shaped β phase of Mg2Si. The critical resolved shear stress (CRSS) is related to the precipitate characteristics including sizes and thickness directions. The CRSS increases with the increase of the precipitate size. When the thickness direction of precipitate changes from [001] to [100], the CRSS increases from 326.76 MPa to 368.7 MPa. This phenomenon is mainly affected by the interaction length between dislocation and β phase. With the increase of interaction length, the interaction time for dislocation to overcome pinning increases. The critical bending angle of dislocation can be affected by the interaction time and shear strain rate. The relationship between the critical bending angle and the CRSS in Al‐Mg‐Si alloy is then established.This article is protected by copyright. All rights reserved.
在Al - Mg - Si合金中,稳定析出物对材料强化起着至关重要的作用。为了揭示稳定沉淀如何在材料强化中起作用,我们建立了分子动力学模型来展示Mg2Si的边缘位错与板形β相之间的相互作用。临界分解剪应力(CRSS)与析出相的大小、厚度方向等特征有关。CRSS随析出相尺寸的增大而增大。当析出相厚度方向从[001]变化到[100]时,CRSS从326.76 MPa增加到368.7 MPa。这种现象主要受位错与β相相互作用长度的影响。随着相互作用长度的增加,位错克服钉住的相互作用时间增加。位错的临界弯曲角受相互作用时间和剪切应变速率的影响。建立了Al - Mg - Si合金临界弯曲角与CRSS之间的关系。这篇文章受版权保护。版权所有。
{"title":"Molecular dynamics simulation of interaction between edge dislocations and stable β phase precipitates in aluminum alloy","authors":"Jian-yu Li, Xuchang Qiu, Shining Kong, Zhao Zhang","doi":"10.1002/pssb.202300246","DOIUrl":"https://doi.org/10.1002/pssb.202300246","url":null,"abstract":"Stable precipitate takes the essential role for material strengthening in Al‐Mg‐Si alloys. To reveal how the stable precipitate works in material strengthening, a molecular dynamics model is carried out to show the interaction between the edge dislocations and the plate‐shaped β phase of Mg2Si. The critical resolved shear stress (CRSS) is related to the precipitate characteristics including sizes and thickness directions. The CRSS increases with the increase of the precipitate size. When the thickness direction of precipitate changes from [001] to [100], the CRSS increases from 326.76 MPa to 368.7 MPa. This phenomenon is mainly affected by the interaction length between dislocation and β phase. With the increase of interaction length, the interaction time for dislocation to overcome pinning increases. The critical bending angle of dislocation can be affected by the interaction time and shear strain rate. The relationship between the critical bending angle and the CRSS in Al‐Mg‐Si alloy is then established.This article is protected by copyright. All rights reserved.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82376337","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
Impact of the point defects and V doped on the thermodynamic properties of TiB: first‐principles calculations 点缺陷和V掺杂对TiB热力学性质的影响:第一性原理计算
Pub Date : 2023-08-11 DOI: 10.1002/pssb.202300214
Yang Xu, Tao Li, C. Hu, Shenggang Zhou, Yan Wei, Xian Wang, Yong Cao
In this work, the impact of point defects and V doped on the thermodynamic properties of TiB was calculated using the ultra‐soft pseudo‐potential approach of the plane wave based on the density functional theory (DFT). More specifically, based on the Quasi‐harmonic Debye model, the volume, heat capacity, thermal expansion coefficient, and Debye temperature of TiB with B‐vacancy, Ti‐vacancy, V substitutional doped, and V interstitial doped under high temperature and high pressure were systematically analyzed. From the calculated results, it was indicated that the presence of both types of vacancies leads to a decreasing trend for the volume. Particularly, the different forms of V doping could cause lattice distortion and affected supercell volume, whereas their volume was positively correlated with the temperature and negatively correlated with the pressure. The V interstitial doped led to an increased in both the constant volume heat capacity and the constant pressure heat capacity of TiB. In addition, regardless of the vacancy or doping‐based modification of TiB, its constant volume heat capacity increased with the temperature and approached the Dulong‐Petit limit, while the constant pressure heat capacity slowly decreased by increasing the pressure. The presence of vacancies also affected the thermal expansion coefficient of TiB, thereby regulated its high‐temperature ductility. The V interstitial doping approach was beneficial for improving the high‐temperature ductility of TiB, whereas substitutional doping was led to a decreasing trend at high pressure. The Debye temperature of TiB with vacancies was proven more sensitive to pressure changes than the temperature. On the contrary, the V doping had a significant impact on the Debye temperature of TiB, and the Debye temperature of TiB with interstitial V atoms was lower than that of TiB with substitutional V atoms, indicating that the interaction force between the substitutional atoms was higher than that of the interstitial sites.This article is protected by copyright. All rights reserved.
本文采用基于密度泛函理论(DFT)的平面波超软伪势方法,计算了点缺陷和V掺杂对TiB热力学性质的影响。具体而言,基于准调和Debye模型,系统分析了含B空位、Ti空位、V取代掺杂和V间隙掺杂的TiB在高温高压下的体积、热容量、热膨胀系数和Debye温度。计算结果表明,两种空位的存在都导致了体积减小的趋势。特别是,不同形式的V掺杂会引起晶格畸变,影响超级单体的体积,其体积与温度呈正相关,与压力负相关。V的掺入使TiB的恒容热容和恒压热容均有所增加。此外,无论是空位改性还是掺杂改性,TiB的恒容热容都随着温度的升高而增加,接近Dulong - Petit极限,而恒压热容随着压力的增加而缓慢下降。空位的存在也影响了TiB的热膨胀系数,从而调节了TiB的高温塑性。V型间隙掺杂有利于提高TiB的高温延展性,而在高压下,取代掺杂导致TiB的高温延展性下降。有空位的TiB的Debye温度对压力的变化比温度的变化更敏感。相反,V的掺杂对TiB的Debye温度有显著的影响,有间隙V原子的TiB的Debye温度比有取代V原子的TiB的Debye温度低,说明取代原子之间的相互作用力大于间隙位之间的相互作用力。这篇文章受版权保护。版权所有。
{"title":"Impact of the point defects and V doped on the thermodynamic properties of TiB: first‐principles calculations","authors":"Yang Xu, Tao Li, C. Hu, Shenggang Zhou, Yan Wei, Xian Wang, Yong Cao","doi":"10.1002/pssb.202300214","DOIUrl":"https://doi.org/10.1002/pssb.202300214","url":null,"abstract":"In this work, the impact of point defects and V doped on the thermodynamic properties of TiB was calculated using the ultra‐soft pseudo‐potential approach of the plane wave based on the density functional theory (DFT). More specifically, based on the Quasi‐harmonic Debye model, the volume, heat capacity, thermal expansion coefficient, and Debye temperature of TiB with B‐vacancy, Ti‐vacancy, V substitutional doped, and V interstitial doped under high temperature and high pressure were systematically analyzed. From the calculated results, it was indicated that the presence of both types of vacancies leads to a decreasing trend for the volume. Particularly, the different forms of V doping could cause lattice distortion and affected supercell volume, whereas their volume was positively correlated with the temperature and negatively correlated with the pressure. The V interstitial doped led to an increased in both the constant volume heat capacity and the constant pressure heat capacity of TiB. In addition, regardless of the vacancy or doping‐based modification of TiB, its constant volume heat capacity increased with the temperature and approached the Dulong‐Petit limit, while the constant pressure heat capacity slowly decreased by increasing the pressure. The presence of vacancies also affected the thermal expansion coefficient of TiB, thereby regulated its high‐temperature ductility. The V interstitial doping approach was beneficial for improving the high‐temperature ductility of TiB, whereas substitutional doping was led to a decreasing trend at high pressure. The Debye temperature of TiB with vacancies was proven more sensitive to pressure changes than the temperature. On the contrary, the V doping had a significant impact on the Debye temperature of TiB, and the Debye temperature of TiB with interstitial V atoms was lower than that of TiB with substitutional V atoms, indicating that the interaction force between the substitutional atoms was higher than that of the interstitial sites.This article is protected by copyright. All rights reserved.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77846082","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
On the Possibility of Realizing a 2D Structure of Si─N Bonds by Metal‐Organic Chemical Vapor Deposition 金属-有机化学气相沉积实现二维Si─N键结构的可能性
Pub Date : 2023-08-03 DOI: 10.1002/pssb.202300262
B. Pécz, M. Németh, F. Giannazzo, A. Kakanakova-Georgieva
2D SiN honeycomb monolayer structures predicted theoretically have been the focus of interest in materials science for a long time, most recently for their semiconducting and ferromagnetic properties. Herein, by investigating metal‐organic chemical vapor deposition processes and direct heat treatment of epitaxial graphene in ammonia flow, the possibility of realizing a certain periodic 2D structure via Si─N bonds under epitaxial graphene on SiC (0001) is reported. The result is of interest because it is compatible with semiconductor material deposition technologies and future use in nanoscience and nanotechnology.
理论上预测的二维SiN蜂窝单层结构长期以来一直是材料科学关注的焦点,最近因其半导体和铁磁性而引起关注。本文通过研究金属有机化学气相沉积工艺和氨流中外延石墨烯的直接热处理,报道了在SiC(0001)上外延石墨烯下通过Si─N键实现一定周期二维结构的可能性。这一结果令人感兴趣,因为它与半导体材料沉积技术兼容,并在纳米科学和纳米技术中有未来的应用。
{"title":"On the Possibility of Realizing a 2D Structure of Si─N Bonds by Metal‐Organic Chemical Vapor Deposition","authors":"B. Pécz, M. Németh, F. Giannazzo, A. Kakanakova-Georgieva","doi":"10.1002/pssb.202300262","DOIUrl":"https://doi.org/10.1002/pssb.202300262","url":null,"abstract":"2D SiN honeycomb monolayer structures predicted theoretically have been the focus of interest in materials science for a long time, most recently for their semiconducting and ferromagnetic properties. Herein, by investigating metal‐organic chemical vapor deposition processes and direct heat treatment of epitaxial graphene in ammonia flow, the possibility of realizing a certain periodic 2D structure via Si─N bonds under epitaxial graphene on SiC (0001) is reported. The result is of interest because it is compatible with semiconductor material deposition technologies and future use in nanoscience and nanotechnology.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87925702","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
Experimental and Theoretical Study on Anisotropic Electron Mobility in 4H‐SiC 4H‐SiC中各向异性电子迁移率的实验与理论研究
Pub Date : 2023-08-02 DOI: 10.1002/pssb.202300275
R. Ishikawa, Hajime Tanaka, M. Kaneko, T. Kimoto
Electron mobility parallel to the c‐axis in 4H‐SiC is experimentally determined by Hall effect measurements over wide donor density and temperature ranges (6 × 1014–3 × 1018 cm−3 and 140–600 K), and it is compared with that perpendicular to the c‐axis obtained for the same conditions. Empirical equations for the mobility along both directions are determined as functions of donor density and temperature, which contribute to the simulation and designing of SiC devices. The origin of the mobility anisotropy is discussed, focusing on the electron effective mass anisotropy. For a precise analysis, taking into account the effect of electrons at a higher energy region than the conduction band bottom, an average electron effective mass considering the energy distribution is theoretically calculated from the band structure of SiC. As a result, it is clarified that the electron mobility anisotropy including its temperature dependence is explained by the average electron effective mass anisotropy.
在较宽的供体密度和温度范围(6 × 1014-3 × 1018 cm−3和140-600 K)下,通过霍尔效应测量,实验确定了4H‐SiC中平行于c轴的电子迁移率,并将其与相同条件下垂直于c轴的电子迁移率进行了比较。确定了两个方向的迁移率随施主密度和温度的函数的经验方程,为SiC器件的仿真和设计提供了依据。讨论了迁移率各向异性的来源,重点讨论了电子有效质量各向异性。为了进行精确的分析,考虑到电子在比导带底部更高能量区域的影响,从SiC的能带结构理论上计算出考虑能量分布的平均电子有效质量。结果表明,电子迁移率各向异性及其温度依赖性可以用平均电子有效质量各向异性来解释。
{"title":"Experimental and Theoretical Study on Anisotropic Electron Mobility in 4H‐SiC","authors":"R. Ishikawa, Hajime Tanaka, M. Kaneko, T. Kimoto","doi":"10.1002/pssb.202300275","DOIUrl":"https://doi.org/10.1002/pssb.202300275","url":null,"abstract":"Electron mobility parallel to the c‐axis in 4H‐SiC is experimentally determined by Hall effect measurements over wide donor density and temperature ranges (6 × 1014–3 × 1018 cm−3 and 140–600 K), and it is compared with that perpendicular to the c‐axis obtained for the same conditions. Empirical equations for the mobility along both directions are determined as functions of donor density and temperature, which contribute to the simulation and designing of SiC devices. The origin of the mobility anisotropy is discussed, focusing on the electron effective mass anisotropy. For a precise analysis, taking into account the effect of electrons at a higher energy region than the conduction band bottom, an average electron effective mass considering the energy distribution is theoretically calculated from the band structure of SiC. As a result, it is clarified that the electron mobility anisotropy including its temperature dependence is explained by the average electron effective mass anisotropy.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77216017","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
期刊
physica status solidi (b)
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1