The electronic, magnetic and optical properties of GaN monolayer doped with rare-earth elements
S Tian, L Zhang, R Xie, A Lu, Y Huang, H Xing… - Solid State …, 2023 - Elsevier
Structural, electronic, magnetic, and optical properties of rare earth (RE) metal element
doped GaN monolayers are investigated using density functional theory, where RE= Nd …
doped GaN monolayers are investigated using density functional theory, where RE= Nd …
Effect of Ti incorporation on the electronic structure and optical properties of MoS2 (a first principle study)
P Akhtar, MJI Khan - Physica Scripta, 2021 - iopscience.iop.org
The novelty of the Molybdenum disulfide (MoS 2) emerges owing to its opportunity to
replace graphene and Si technology. In order to explore the great potential of the MoS 2 in …
replace graphene and Si technology. In order to explore the great potential of the MoS 2 in …
Electronic and optical properties of Cr/Cl co-doped in single-layer MoS2: A first principles study
W Ding, D Liu, Y Yao, Y Wang - Solid State Sciences, 2024 - Elsevier
This study aims to investigate the co-doping effect of Cr and Cl in monolayer molybdenum
disulfide (MoS 2) crystals. Density functional theory (DFT) was used to study the electronic …
disulfide (MoS 2) crystals. Density functional theory (DFT) was used to study the electronic …
An insight into the structural, electronic, magnetic and optical properties of Cs doped and Cs-X (X= Mn, Fe) co-doped CdS for optoelectronic applications
This research presents detailed investigations of the structural, electronic, magnetic and
optical properties of cesium doped and Cs-X (X= Mn, Fe) co-doped CdS. We employ …
optical properties of cesium doped and Cs-X (X= Mn, Fe) co-doped CdS. We employ …
Structural, electrical, magnetic & optical properties of Nickel, cobalt doped and Co-doped wurtzite GaN: A first-principle investigation
The structural, electronic, magnetic, and optical properties of Co (6.25%) and Ni (6.25%)
monodoped and co-doped GaN were calculated by the DFT+ U method using a 2× 2× 2 …
monodoped and co-doped GaN were calculated by the DFT+ U method using a 2× 2× 2 …
不同掺杂浓度Lu 掺杂GaN 电子结构和光学性质的第一性原理研究
付莎莎， 肖清泉， 唐华， 姚云美， 邹梦真， 叶建峰… - Acta Optica …, 2024 - opticsjournal.net
摘要采用密度泛函理论下的第一性原理平面波超软赝势方法, 计算了本征GaN 和不同Lu
掺杂浓度(原子数分数) Ga 1-x Lu x N (x= 0.0625, 0.125, 0.1875, 0.25) 体系的电子结构和光学 …
掺杂浓度(原子数分数) Ga 1-x Lu x N (x= 0.0625, 0.125, 0.1875, 0.25) 体系的电子结构和光学 …
First principle investigations of the structural, electronic, magnetic, and optical properties of GaN co-doped with carbon and gold (C–Au@ GaN)
In the current research, we studied the effect of Au mono-and (C, Au) co-doping effect on the
electronic, structural, magnetic and optical properties of the GaN systems in order to …
electronic, structural, magnetic and optical properties of the GaN systems in order to …
[HTML][HTML] Cu 和Cl 掺杂GaN 光电性质的第一性原理研究
李萍， 俞利瑞 - Applied Physics, 2024 - hanspub.org
基于第一性原理的方法, 本研究对金属原子Cu 和非金属原子Cl 掺杂GaN 的电子结构和光学性能
等进行了系统的计算. 结果显示: 掺杂后GaN 的形成能较低且声子结构稳定 …
等进行了系统的计算. 结果显示: 掺杂后GaN 的形成能较低且声子结构稳定 …
Exploring structural, electronic, optical, and magnetic properties of Os doped and Os-Mn/Ru co-doped GaN
In current research, we study the effect of Os and Os-Mn/Ru co-doping onto the GaN. We
study the electronic structure, optical, and magnetic properties of these materials. We …
study the electronic structure, optical, and magnetic properties of these materials. We …
Theoretical study of potential n-type and p-type dopants in GaN from data mining and first-principles calculation
Z Zhao, F Xue, P Zhao, Y Lu… - … Science and Technology, 2022 - iopscience.iop.org
Impurity doping is one of the important means to control the physical properties of intrinsic
semiconductors. By combining data mining and first principles calculation, a series of …
semiconductors. By combining data mining and first principles calculation, a series of …