Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
Permanent URI for this collectionhttps://hdl.handle.net/11147/4719
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Article Citation - WoS: 4Citation - Scopus: 4The Peculiar Potential of Transition Metal Dichalcogenides for Thermoelectric Applications: a Perspective on Future Computational Research(American Institute of Physics, 2023) Özbal, Gözde; Sevinçli, Haldun; Sarıkurt, Sevil; Sevinçli, Haldun; Sevik, Cem; 03.09. Department of Materials Science and Engineering; 03. Faculty of Engineering; 01. Izmir Institute of TechnologyThe peculiar potential transition metal dichalcogenides in regard to sensor and device applications have been exhibited by both experimental and theoretical studies. The use of these materials, thermodynamically stable even at elevated temperatures, particularly in nano- and optoelectronic technology, is about to come true. On the other hand, the distinct electronic and thermal transport properties possessing unique coherency, which may result in higher thermoelectric efficiency, have also been reported. However, exploiting this potential in terms of power generation and cooling applications requires a deeper understanding of these materials in this regard. This perspective study, concentrated with this intention, summarizes thermoelectric research based on transition metal dichalcogenides from a broad perspective and also provides a general evaluation of future theoretical investigations inevitable to shed more light on the physics of electronic and thermal transport in these materials and to lead future experimental research. © 2023 Author(s).Article Citation - WoS: 3Citation - Scopus: 2Effects of Interphase Boundaries in Ginzburg-Landau One-Dimensional Model of Two-Phase States in Clamped Systems(American Institute of Physics, 2021) Levanyuk, Arkady P.; Okatan, Mahmut Barış; Mısırlıoğlu, İbrahim Burç; Okatan, Mahmut Barış; 03.09. Department of Materials Science and Engineering; 03. Faculty of Engineering; 01. Izmir Institute of TechnologyPrevious Landau-type models of two-phase state formation in clamped systems whose material exhibits first-order phase transitions in free state neglects the existence of interphase boundaries. Here, we take them into account in the framework of a Ginzburg-Landau one-dimensional model to study the dependence of characteristics of the two-phase state on system size. Unlike earlier works, we find that the transition to the two-phase state from both the symmetrical and nonsymmetrical phases is not continuous but abrupt. For a one-dimensional system with length L studied in this work, we show that the formation of two-phase state begins with a region whose size is proportional to root L. The latent heat of the transition is also proportional to root L -> infinity, recovering the earlier result for infinite systems. The temperature width of the two-phase region decreases with decreasing of L, but we are unable to answer the question about the critical length for two-phase state formation because the approximation used in analytical calculations is valid for sufficiently large L. A region of small values of L was studied partially to reveal the limits of validity of the analytical calculations. The main physical results are also obtainable within a simple approximation that considers the energy of interphase boundary as a fixed value, neglecting its temperature dependence and the thickness of the boundary. A more involved but consistent treatment provides the same results within the accepted approximation and sheds light on the reason of validity of the simplified approach.Article Citation - WoS: 14Citation - Scopus: 13Effect of Texture on the Electrical and Electrocaloric Properties of 0.90pb(mg1/3nb2 Relaxor Ceramics(American Institute of Physics, 2020) Mensur Alkoy, Ebru; Okatan, Mahmut Barış; Okatan, M. Barış; Aydın, Ecem; Kılıç, Yusuf; Mısırlıoğlu, I. Burç; Alkoy, Sedat; 03.09. Department of Materials Science and Engineering; 03. Faculty of Engineering; 01. Izmir Institute of TechnologyFunctional properties of ferroelectric compositions depend strongly on the type of stable crystalline phase at a given temperature and texturing. In addition to defining a governing crystallographic axis among the grains with respect to a global reference axis, texturing in these systems is also often meant to imply the relationship between an external applied field and the polar axis. Here, we synthesize randomly oriented and 001(pc) textured 0.90Pb(Mg1/3Nb2/3)O-3-0.10PbTiO(3) solid solutions that fall into the relaxor category. A >95% degree of 001(pc) texturing was achieved by the use of single crystal BaTiO3 template crystallites whose volume fraction does not exceed 5% of the entire sample volume. Electrical measurements made on random and textured samples reveal the impact of texture on the hysteresis and the dielectric response. A Curie-Weiss analysis of the temperature dependent dielectric data shows the degree of relaxor behavior in random and textured samples. As similar compositions have recently been getting interest for electrothermal management applications, we compute the electrocaloric (EC) response of the random and textured samples using indirect methods followed by an estimation of the EC response with a subsequent thermodynamic analysis to shed light on the effect of texture on the observed differences between the textured and the random oriented samples. We finally compare and contrast on the desirability of texturing in these systems for use as EC components for thermal management applications.Article Citation - WoS: 9Structural, Electronic, and Magnetic Properties of Point Defects in Polyaniline (c3n) and Graphene Monolayers: a Comparative Study(American Institute of Physics, 2020) Sevim, Koray; Sevinçli, Haldun; Sevinçli, Haldun; Sevim, Koray; 03.09. Department of Materials Science and Engineering; 04.05. Department of Pyhsics; 03. Faculty of Engineering; 04. Faculty of Science; 01. Izmir Institute of TechnologyThe newly synthesized two-dimensional polyaniline (C3N) is structurally similar to graphene and has interesting electronic, magnetic, optical, and thermal properties. Motivated by the fact that point defects in graphene give rise to interesting features, like magnetization in an all carbon material, we perform density functional theory calculations to investigate vacancy and Stone-Wales type point defects in monolayer C3N. We compare and contrast the structural, electronic, and magnetic properties of these defects with those in graphene. While monovacancies and Stone-Wales defects of C3N result in reconstructions similar to those in graphene, divacancies display dissimilar geometrical features. Different from graphene, all vacancies in C3N have metallic character because of altered stoichiometry; those that have low-coordinated atoms have finite magnetic moments. We further investigate the robustness of the reconstructed structures and the changes in the magnetic moments by applying tensile and compressive biaxial strain. We find that, with the advantage of finite bandgap, point defects in C3N are qualified as good candidates for future spintronics applications.