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Theoretical Condensed Matter Physics

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Quantum Science and Technology".

Deadline for manuscript submissions: closed (31 January 2021) | Viewed by 2560

Special Issue Editor


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Guest Editor
Science and Mathematics Faculty, College of Integrative Sciences and Arts, Arizona State University, Polytechnic Campus, Mesa, AZ 85212, USA
Interests: first-principles electronic structure calculations; two or one dimensional materials; nanoscale semiconductors; novel materials for energy harvesting; Li-ion battery and photo-catalysts

Special Issue Information

Dear Colleagues,

Condensed Matter Physics focusing on topics such as semiconductors, magnetism, superconductivity, complex fluids, and thin films is an essentially important research area solving a broad range of physical problems, both fundamental and applied. Theoretical physics, in particular, computational physics utilizes current development of massive computing power to solve problems across various fields, ranging from physics and chemistry to biology, material sciences and engineering. They are playing an essential role in modern scientific research and explorations.

The present special issue is devised as a collection of articles reporting both basic and applied research on theoretical condensed matter physics. The topics may include computational study of materials such as material structures, characterization, applications, and properties including electronic, magnetic, transport, mechanical, thermal, using numerical methods for instance first-principles calculations, density-functional theory, molecular dynamics, Monte Carlo, tight-binding etc.

Dr. Xihong Peng
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. Applied Sciences 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 2400 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

  • computational
  • condensed matter physics
  • material properties
  • structures
  • applications

Published Papers (1 paper)

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Research

8 pages, 1310 KiB  
Article
Application of Nuclear Inelastic Scattering Spectroscopy to the Frequency Scale Calibration of Ab Initio Calculated Phonon Density of States of Quasi-One-Dimensional Ternary Iron Chalcogenide RbFeSe2
by Airat Kiiamov, Vladimir Tsurkan, Dorina Croitori, Hans-Albrecht Krug von Nidda, Zakir Seidov, Hans-Christian Wille, Ilya Sergueev, Olaf Leupold, Dmitrii Tayurskii and Lenar Tagirov
Appl. Sci. 2020, 10(20), 7212; https://doi.org/10.3390/app10207212 - 16 Oct 2020
Cited by 2 | Viewed by 2137
Abstract
This study aims to examine the applicability of nuclear inelastic scattering (NIS) and conventional Mössbauer spectroscopy for calibration of the frequency scale of ab initio calculated phonon density of states (PDOS) of iron ternary chalcogenides. NIS measurements are carried out on the quasi-one-dimensional [...] Read more.
This study aims to examine the applicability of nuclear inelastic scattering (NIS) and conventional Mössbauer spectroscopy for calibration of the frequency scale of ab initio calculated phonon density of states (PDOS) of iron ternary chalcogenides. NIS measurements are carried out on the quasi-one-dimensional ternary chalcogenide RbFeSe2 to obtain the partial PDOS of the iron atoms in the compound. We compare the experimental PDOS with our previous results on vibrational properties of RbFeSe2 obtained with density functional theory (DFT) ab initio calculations, conventional Mössbauer, and infra-red spectroscopies. The experimental PDOS measured by NIS is collated with the ab initio calculated one. The frequency correction factor for the ab initio results is determined as 1.077, in good agreement with value of 1.08 obtained previously from the temperature dependence of the Lamb–Mössbauer factor of the iron atoms in RbFeSe2. We conclude that nuclear inelastic scattering and temperature dependence of the Lamb–Mössbauer factor in conventional Mössbauer spectroscopy can be equally applied for evaluation of the frequency correction factor for ab initio calculated phonon density of iron of ternary chalcogenides. Full article
(This article belongs to the Special Issue Theoretical Condensed Matter Physics)
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