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Computations of electronic, optical and magnetic properties of 2d materials: density functional theory
การคำนวณสมบัติทางอิเล็กทรอนิกส์ แสง และแม่เหล็กของวัสดุ 2 มิติ โดยวิธี Density functional theory
Name: Waritsara Thajitr
LCSH:
Transition metals
-- Magnetic properties
Classification :.LCCS: QC
LCSH:
Spintronics
Abstract:
Recently, the two-dimensional (2D) materials have gained a lot of attention due to their potential applications such as sensors, solar cell, batteries, electronic, photodetectors, supercapacitors and spintronics. Specifically, spintronic applications are a new and intriguing topic for 2D materials. Dicalcogenides (TMDs) are a class of 2D materials that have attracted the attention of researchers for their unique physical properties, such as their intrinsic non-zero band gap. It is possible to change electronic properties from semiconductors to superconductors and has magnetic properties caused by transition metals. Therefore, this computational work studies the electronic, optical and magnetic properties of MoX2 monolayers (X= S and Se) doped with single and double transition metals atoms (V, Cr, Mn, Fe and Co) using density functional theory (DFT). The calculation results show that the electronic structures and magnetic properties are modulated by the embedded transition metal atoms, The types and quantity of doping transition metals affect the electronic and magnetic characteristics of MoX2 monolayers (X= S and Se). Finally, these systematic and theoretical findings open up a new avenue for designing half-metallic characteristics of MoX2 monolayers (X = S and Se) doped with transition metals in order to create spintronic devices based on transition metal dichalcogenide monolayers.
Ubon Ratchathani University. The Office of Academic Resources
Address:
UBON RATCHATHANI
Email:
library@ubu.ac.th
Name: Worasak Sukkabot
Role:
Advisor
Created:
2022
Modified:
2567-10-09
Issued:
2024-10-09
วิทยานิพนธ์/Thesis
application/pdf
CallNumber:
QC W277 2022
eng
DegreeName: Master of Science
Level: Master's Degree
Descipline: Major in Physics
Grantor: Ubon Ratchathani University
©copyrights Ubon Ratchathani University
RightsAccess:
ใช้เวลา
0.03601 วินาที
Waritsara Thajitr
| Title | Contributor | Type |
|---|---|---|
| Computations of electronic, optical and magnetic properties of 2d materials: density functional theory
มหาวิทยาลัยอุบลราชธานี Waritsara Thajitr | Worasak Sukkabot | วิทยานิพนธ์/Thesis |
Worasak Sukkabot
| Title | Creator | Type and Date Create |
|---|---|---|
| Computations of electronic, optical and magnetic properties of 2d materials: density functional theory
มหาวิทยาลัยอุบลราชธานี Worasak Sukkabot | Waritsara Thajitr | วิทยานิพนธ์/Thesis |
| Electronic properties of lithium-base battery doped with trasition metal LiMnO2, LiCoO2 and Sc,V,Tc
มหาวิทยาลัยอุบลราชธานี Worasak Sukkabot | Nontawat Chaiyaocha | วิทยานิพนธ์/Thesis |