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پیش‌بینی نیم‌هادی‌های دهنده و پذیرنده برای کاربرد اسپینترونیک با دوپینگ فلز واسطه (3d, 4d, 5d) روی تک‌لایه نیمه‌هادی ذاتی PdS2 | ||
| فصلنامه علمی اپتوالکترونیک | ||
| دوره 7، شماره 2 - شماره پیاپی 19، دی 1403، صفحه 39-48 اصل مقاله (911.09 K) | ||
| نوع مقاله: پژوهشی | ||
| شناسه دیجیتال (DOI): 10.30473/jphys.2024.71403.1193 | ||
| نویسندگان | ||
| مجتبی غلامی* 1؛ بهاره آذروند حسن فرد2 | ||
| 1استادیار، گروه فیزیک، دانشگاه پیام نور، تهران، ایران. | ||
| 2دانشیار، گروه فیزیک، دانشگاه پیام نور، تهران، ایران. | ||
| چکیده | ||
| در این مقاله با دوپینگ جایگزینی فلزات دوره‌های 3d، 4d و 5d روی تک لایه PdS2 خواص الکترونی مطالعه شده است. نتایج به‌دست آمده نشان می‌دهد که در دوپینگ جایگزینی فلزات 3d(Sc, Fe)، 4d(Y, Ru, Rh) و 5d(Os) به جای یک اتم سطح فرمی یا به داخل شیفت پیدا کرده یا اینکه زیر و نزدیک آن واقع شده است. بنابراین؛ ساختار رفتار نیم‌هادی پذیرنده دارد. اما برای دوپینگ فلزات 3d(Ti, Cr, Co)، 4d(Zr, Mo) و 5d(Hf, W, Ir, Au) سطح فرمی به داخل نفوذ کرده یا اینکه بالای و نزدیک آن واقع شده است. در این حالت ساختار دوپینگ شده نقش نیم‌هادی دهنده بازی می‌کند. اما ساختار الکترونی PdS2 در اثر دوپینگ فلزات 3d(Ni, Zn)، 4d(Pd, Cd) و 5d(Pt, Hg) تغییر کرده و همچنان نیم‌هادی داتی باقی می‌ماند به‌گونه‌ای که بیشترین گاف انرژی مربوط به همین فلزات است. دوپینگ فلزات 3d(V, Mn, Cu)، 4d(Nb, Tc, Ag) و 5d(Ta, Re) ساختار الکترونی سیستم را به کلی تغییر داده و سیستم تبدیل به رسانا می‌شود. این تغییرات متنوع اسپینی در ترکیبات فوق می‌تواند اساس ایده‌های علمی برای ساخت وسایل اسپینرونیک تلقی شود. | ||
| کلیدواژه‌ها | ||
| اکسیدروی؛ نانوصفحه؛ آهن؛ مس؛ سل-ژل؛ خواص ساختاری؛ مورفولوژی؛ گاف نواری | ||
| عنوان مقاله [English] | ||
| Acceptor and Donor Semiconductors Prediction for Spintronics Application with (3d, 4d, 5d) Transition Metal Doping on the Intrinsic Pds2 Semiconductor Monolayer | ||
| نویسندگان [English] | ||
| Mojtaba Gholami1؛ Bahareh Azarvand-Hassanfard2 | ||
| 1Assistant Professor, Department of Physics, Payame Noor University, Tehran, Iran. | ||
| 2Associate Professor, Department of Physics, Payame Noor University, Tehran, Iran | ||
| چکیده [English] | ||
| This paper has studied the electronic properties of PdS2 monolayers doped with substitutional 3d, 4d, and 5d transition metals (TMs). The findings indicate that when a Pd atom is replaced by 3d metals (Sc, Fe), 4d metals (Y, Ru, Rh), and 5d metals (Os) through doping, the Fermi level moves towards the valence band maximum (VBM) or lies slightly below and around the conduction band minimum (CBM). Thus, the structure exhibits p-type semiconducting behavior. However, for doping with 3d metals (Ti, Cr, Co), 4d metals (Zr, Mo), and 5d metals (Hf, W, Ir, Au), the Fermi level penetrates into the CBM or located above and near the VBM, indicating n-type semiconducting behavior. The electronic structure of PdS2 remains a pristine semiconductor when doped with 3d metals (Ni, Zn), 4d metals (Pd, Cd), and 5d metals (Pt, Hg), with the largest band gap corresponding to these metals. Doping with 3d metals (V, Mn, Cu), 4d metals (Nb, Tc, Ag), and 5d metals (Ta, Re) significantly alters the electronic structure, converting the system into a conductor. These diverse changes can provide a scientific basis for developing spintronic devices | ||
| کلیدواژه‌ها [English] | ||
| Zinc Oxide, Nano-Sheet, Iron, Copper, Sol-Gel, Structural Properties, Morphology, Band-Gap | ||
| مراجع | ||
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