Electronic structure modulation in coupled indium δ-doped diluted magnetic nanostructure: role of uniform and nonuniform dopant distributions
Computational Materials Science, cilt.274, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 274
- Basım Tarihi: 2026
- Doi Numarası: 10.1016/j.commatsci.2026.115011
- Dergi Adı: Computational Materials Science
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Applied Science & Technology Source, Chimica, Compendex, INSPEC, Academic Search Ultimate (EBSCO), Engineering Source (EBSCO)
- Anahtar Kelimeler: Coupled δ-doped layers, Diagonalization method, Nonuniform distribution, Self-consistent Schrödinger-Poisson approach, Uniform distribution
- Sivas Cumhuriyet Üniversitesi Adresli: Evet
Özet
This paper delivers a systematic computational analysis of the electronic characteristics of coupled indium (In) δ-doped diluted magnetic nanostructures composed of Cd1−νMnνTe. Particular attention is devoted to the effects of dopant spatial distribution, doping-layer thickness, and interlayer separation on the δ-potential, energy levels, carrier populations, and the charge density profile. Two donor distributions are considered: a uniform model and a nonuniform profile. The electronic energy levels are calculated using the effective mass model by applying a comprehensive self-consistent approach to address the Schrödinger and Poisson (SP) equations, utilizing a matrix diagonalization technique (DM). Our results demonstrate that the dopant distribution strongly modifies the δ-potential, resulting in substantial modifications in the subband structure and carrier spatial localization. Augmenting the impurity slab reduces the depth of the confining potential, weakens quantum confinement, and induces an upward shift of the first energy level, while the higher levels exhibit the opposite trend. The excited subbands are found to be more sensitive to the dopant profile, particularly for thicker δ-layers, due to differences in potential depth and the overlap of the carrier wavefunctions with the delta-layer. Furthermore, the barrier linking the delta-slabs governs the coupling strength: at small barrier widths, the system behaves as a single highly confined δ-layer, whereas larger separations reduce interlayer coupling and modify the subband degeneracy and carrier redistribution. As far as we are aware, this represents the first computational exploration devoted to coupled δ-doped diluted magnetic nanostructures, demonstrating the crucial role of dopant engineering in controlling electronic and transport properties.