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Articles 1 - 5 of 5
Full-Text Articles in Engineering Physics
Study Of Thermoelectric And Lattice Dynamics Properties Of 2d Layered Mx (M = Sn, Pb; X = S, Se, Te) And Zrs2 Compounds Using First-Principles Approach, Abhiyan Pandit
Graduate Theses and Dissertations
The aim of this dissertation is the investigation of thermoelectric and lattice dynamics properties of two-dimensional (2D) MX (M = Sn, Pb; X = S, Se, Te) and ZrS2 compounds based on the first-principles density functional theory. The dimensionality reduction (e.g., using 2D structure) of bulk materials is found to have enhanced thermoelectric efficiency. This enhancement is attributed to the increase of the Seebeck coefficient as a result of higher electronic density of states near the Fermi level in low-dimensional materials. In addition, lowering the dimensionality increases phonon scattering near interfaces and surfaces in 2D materials, which leads to a …
Interplay Between The Lattice And Spin Degrees Of Freedom In Magnetoelectric And Magnetic Materials, Temuujin Bayaraa
Interplay Between The Lattice And Spin Degrees Of Freedom In Magnetoelectric And Magnetic Materials, Temuujin Bayaraa
Graduate Theses and Dissertations
This dissertation contains several investigations on the cross-coupling between structural and spin degrees of freedom in multiferroic and ferrimagnetic compounds by means of first-principles calculations and ab-initio-based Monte-Carlo simulations. We start with the reviews of magnetoelectricity, ferrimagnetism, strain engineering, followed by a brief introduction to first-principles computational methods, magnetic effective Hamiltonians, and other techniques that are utilized here. The results section of the dissertation can be divided into two parts. The first half focuses on magnetoelectric effects arising from different sources, while the second half is about the ferrimagnetic nature of materials. In the first part, we examine the epitaxial …
Theoretical Investigations Of The Structural, Dynamical, Electronic, Magnetic, And Thermoelectric Properties Of Corhysi (Y = Cr, Mn) Quaternary Heusler Alloys, Abdullah Hussain Hzzazi
Theoretical Investigations Of The Structural, Dynamical, Electronic, Magnetic, And Thermoelectric Properties Of Corhysi (Y = Cr, Mn) Quaternary Heusler Alloys, Abdullah Hussain Hzzazi
Graduate Theses and Dissertations
Thermoelectric materials have potential properties for utilizing waste heat. The computations are used to estimate the electronic structure of CoRhYSi (Y = Cr, Mn) Quaternary Heusler alloys, as well as their elastic and magnetic characteristics. The full-potential linearized augmented plane wave is used in the calculations. The exchange-correlations are addressed using Perdew–Burke and Ernzerhof's generalized gradient approximation (GGA-PBE). With the exception of CoRhCrSi and CoRhMnSi, which are simple ferromagnets that are approximately half metallic in nature, electronic structure calculations demonstrate that these compounds have a gap in the minority states band and are obviously half-metallic ferromagnets. The magnetic moments of …
Structural And Electronic Properties Of Few-Layer Monochalcogenides, Brandon Joel Miller
Structural And Electronic Properties Of Few-Layer Monochalcogenides, Brandon Joel Miller
Graduate Theses and Dissertations
This work discusses a new class of materials with novel properties that have only recently begun being studied. These materials are two-dimensional group IV-VI monochalcogenides, so named because they are formed from group IV (carbon group) and group VI (chalcogens) elements. These materials display several interesting physical properties such as ferroelasticity and ferroelectricity, and the contents within Chapters Two, Three, and Four concern a collaborative effort between theory and experiment between our group at the University of Arkansas and Dr. Kai Chang at the Max Planck Institute of Microstructure Physics in Halle, Germany in studying these properties. This thesis is …
Studies Of Initial Growth Of Gan On Inn, Alaa Alnami
Studies Of Initial Growth Of Gan On Inn, Alaa Alnami
Graduate Theses and Dissertations
III-nitride materials have recently attracted much attention for applications in both the microelectronics and optoelectronics. For optoelectronic devices, III-nitride materials with tunable energy band gaps can be used as the active region of devices to enhance the absorption or emission. A such material is indium nitride (InN), which along with gallium nitride (GaN) and aluminum nitride (AlN) embody the very real promise of forming the basis of a broad spectrum, a high efficiency solar cell. One of the remaining complications in incorporating InN into a solar cell design is the effects of the high temperature growth of the GaN crystal …