ویژگی های الکترونی، مغناطیسی و اپتیکی نانو لایه GaAs خالص و آلائیده شده با ناخالصی های Mn و Fe واقع بر سطح [001]

نوع مقاله: مقاله پژوهشی کامل

نویسنده

گروه فیزیک، دانشکده علوم، دانشگاه اصفهان، اصفهان، ایران

10.22055/jrmbs.2019.14856

چکیده

انبوهه و نانو لایه‌ی GaAs به دلیل کاربردهای وسیع مورد توجه بسیاری از پژوهشگران قرار گرفته اند. به دلیل اهمیت نانو لایه GaAs ، در این مقاله با استفاده از دو ناخالصی Mn و Fe احتمال ایجاد گذار فاز رسانا به نیم‌رسانا و برعکس هچنین چگونگی جابجایی ستیغ های ضرایب اپتیکی این نانو لایه‌‌ها مورد بررسی قرار می گیرد. به این منظور ویژگی‌های ساختاری، الکترونی و مغناطیسی نانو لایه ی GaAs خالص و آلائیده شده با ناخالصی‌های (GaAs+Fe) Mn و Fe (GaAs+Fe) با استفاده از نظریه تابعی چگالی مورد مطالعه قرار می‌گیرند. چگالی حالت‌های الکترونی، ضریب خطی گرمای ویژه ، ساختار نوراری و گشتاور مغناطیسی کل و موضعی حاصل از ناخالصی‌ها محاسبه و مقایسه می شوند. بخش حقیقی و موهومی تابع دی الکتریک، تابع دی الکتریک استاتیکی، ناهمسانگردی تک محوری، ضرایب بازتابش، ضرایب جذب ، تابع اتلاف انرژی و رسانندگی اپتیکی نانولایه های GaAs خالص ، GaAs+Feو GaAs+Fe برای میدان الکتریکی موازی و عمود بر سطح نانو لایه‌ها با استفاده از تقریب‌های چگالی شیب تعمیم یافته و انگل-وسکو بررسی و مقایسه می شوند.

کلیدواژه‌ها


عنوان مقاله [English]

Electronic, Magnetic and optical properties of pure GaAs nanolayer and doped with Mn and Fe impurities located at the [001] surface

نویسنده [English]

  • Zahra Nourbakhsh
Isfahan University
چکیده [English]

The GaAs nano-layer has received much attention due to its wide application. Due to the importance of the GaAs nano-layer, in this paper, using two Mn and Fe impurities, the probabily of the metallic to semiconductor phase transition and vice versa, as well as the displacements of the optical coefficients peaks of this nano-layer are investigated. For this purpose, the structural, electronic and magnetic properties of pure GaAs nano-layer and this nano-layer with Mn (GaAs+Mn) and Fe (GaAs+Fe) impurities located at the nanolayer surface are investigated using the density functional theory. The electron density of states, linear coefficients of electronic specific heat, band structures and the total and local magnetic moment at impurity atomic position of these nano-layers are calculated and compared. The real and imaginary parts of dielectric function, static dielectric functional, uniaxial anisotropy, reflectivity, absorption, electron energy loss function and optical conductivity of pure GaAs , GaAs+Mn and GaAs+Fe nano-layers for electric field parallel and perpendicular to nano-layer surface within GGA and GGA_EV approaches are investigated and compared.

کلیدواژه‌ها [English]

  • Density functional theory
  • GaAs nano-layer with impurity
  • Magnetic moment
  • Band structure
  • optical properties

 

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