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Advances in Semiconducting Nanomaterials

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Electronic Materials".

Deadline for manuscript submissions: closed (10 July 2022) | Viewed by 1472

Special Issue Editor

State Key Laboratory for Artificial Microstructure and Microscopic Physics, School of Physics, Peking University, Beijing 100871, China
Interests: GaN; semiconductor laser diode; crystal growth; nanostructure; exciton polariton

Special Issue Information

Dear Colleagues,

Semiconducting nanomaterials are new materials with characteristic sizes in the nanometer scale. The structures are usually low-dimensional structures rather than three-dimensional bulk materials, such as zero-dimensional quantum dots, one-dimensional quantum wires, two-dimensional superlattices, quantum wells, and other low-dimensional structures. Due to surface effects, volume effects, quantum size effects, and the macro quantum tunneling effect, as well as some nontrivial optical, electrical, and magnetic properties, semiconducting nanomaterials have been widely used to manufacture artificial microstructures and advanced devices with superior performance since their rise in the 1990s.

In this Special Issue, we invite the submission of research papers highlighting semiconducting nanomaterial synthesis, device fabrication, performance characterization, and physical analysis.

Prof. Dr. Xiaodong Hu
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Nanomaterials
  • Quantum dots
  • Quantum wires
  • Nanocrystals
  • Superlattices
  • Optoelectronic devices
  • Large-scale integrated circuit

Published Papers (1 paper)

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Research

9 pages, 3919 KiB  
Article
Insight into the Structural, Electronic, Elastic, Optical, and Magnetic Properties of Cubic Fluoroperovskites ABF3 (A = Tl, B = Nb, V) Compounds: Probed by DFT
by Saima Ahmad Shah, Mudasser Husain, Nasir Rahman, Mohammad Sohail, Rajwali Khan, Abed Alataway, Ahmed Z. Dewidar, Hosam O. Elansary, Lamia Abu El Maati, Kowiyou Yessoufou, Asad Ullah and Aurangzeb Khan
Materials 2022, 15(16), 5684; https://0-doi-org.brum.beds.ac.uk/10.3390/ma15165684 - 18 Aug 2022
Cited by 6 | Viewed by 1288
Abstract
This work displays the structural, electronic, elastic, optical, and magnetic properties in spin-polarized configurations for cubic fluoroperovskite ABF3 (A = Tl, B = Nb, V) compounds studied by density functional theory (DFT) by means of the Tran-Blaha-modified Becke-Johnson (TB-mBJ) approach. [...] Read more.
This work displays the structural, electronic, elastic, optical, and magnetic properties in spin-polarized configurations for cubic fluoroperovskite ABF3 (A = Tl, B = Nb, V) compounds studied by density functional theory (DFT) by means of the Tran-Blaha-modified Becke-Johnson (TB-mBJ) approach. The ground state characteristics of these compounds, i.e., the lattice parameters a0, bulk modulus (B), and its pressure derivative B are investigated. The structural properties depict that the selected compounds retain a cubic crystalline structure and have stable ground state energy. Electronic-band structures and DOS (density of states) in spin-polarized cases are studied which reports the semiconducting nature of both materials. The TDOS (total density of states) and PDOS (partial density of states) studies in both spin configurations show that the maximum contributions of states to the different bands is due to the B-site (p-states) atoms as well as F (p-states) atoms. Elastic properties including anisotropy factor (A), elastic constants, i.e., C11, C12, and C44, Poisson’s ratio (υ), shear modulus and (G), Young’s modulus (E) are computed. In terms of elastic properties, the higher (bulk modulus) “B” and ratio of “B/G” yield that these materials exhibit a ductile character. Magnetic properties indicate that both the compounds are ferromagnetic. In addition, investigations of the optical spectra including the real (ε1ω) and imaginary (ε2ω) component of the dielectric function, refractive index nω, optical reflectivity Rω, optical conductivity σω, absorption coefficient αω, energy loss function Lω, and electron extinction coefficient kω are carried out which shows the transparent nature of TlVF3 and TlNbF3. Based on the reported research work on these selected materials, their applications can be predicted in many modern electronic gadgets. Full article
(This article belongs to the Special Issue Advances in Semiconducting Nanomaterials)
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