Materials Literature
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We report the growth of (001)-oriented VO2 films as thin as 1.5 nm with abrupt and reproducible metal-insulator transitions (MIT) without a capping layer. Limitations to the growth of thinner films with sharp MITs are discussed, including the Volmer-Weber type growth mode due to the high energy of the (001) VO2 surfac…
Projection of Bloch states obtained from quantum-mechanical calculations onto atomic orbitals is the fastest scheme to construct ab-initio tight-binding Hamiltonian matrices. However, the presence of spurious states and unphysical hybridizations of the tight-binding eigenstates has hindered the applicability of this c…
Ferroelectric and magnetic properties of Fe-doped K0.45Na0.49Li0.06NbO3 (KNLN) and Cu-doped KNLN ceramics were investigated. Comparing with pure KNLN ceramic, Fe-doped KNLN shows ferromagnetic and ferroelectric properties simultaneously while Cu-doped KNLN shows stronger diamagnetic and ferroelectric properties. The m…
Many strongly correlated transition metal oxides exhibit a metal-insulator transition (MIT), the manipulation of which is essential for their application as active device elements. However, such manipulation is hindered by lack of microscopic understanding of mechanisms involved in these transitions. A prototypical ex…
Buffer leakage is an important parasitic loss mechanism in AlGaN/GaN HEMTs and hence various methods are employed to grow semi-insulating buffer layers. Quantification of carrier concentration in such buffers using conventional capacitance based profiling techniques is challenging due to their fully depleted nature ev…
We show that the periodic array of left-handed cylinders possesses a rich spectrum of guided modes when the negative permeability of cylinders equals exactly to minus value of permeability of embedding media. These resonances strongly influences propagation of electromagnetic waves through photonic structures made fro…
Orthorhombic GaFeO3 (o-GFO) with the polar Pna21 space group is a prominent ferrite by virtue of its piezoelectricity and ferrimagnetism, coupled with magneto-electric effects. Herein, we unequivocally demonstrate a large ferroelectric remanent polarization in undoped o-GFO thin films by adopting either a hexagonal st…
In an effort to extend the reach of current ab initio calculations to simulations requiring millions of configurations for complex systems such as heterostructures, we have parameterized the third-generation Charge Optimized Many-Body (COMB3) potential using solely ab initio total energies, forces, and stress tensors…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons interact with other phonons or with other excitations. We shall see that the phonon-…
We report both transport measurements and spectroscopic data of polymer/fullerene blend photovoltaics using a small library of fullerene esters to correlate device properties with a range of functionality and structural diversity of the ester substituent. We observe that minor structural changes can lead to significan…
Optical polarization encoding based on the proposed graphene-loaded plasmonic metasurfaces that can dynamically modulate the polarization state of light with a widely tunable range in mid-infrared wavelengths. The polarization state of the reflected light can be dynamically modulated into right circularly polarized li…
We develop a first-principles theory of phonon-assisted optical absorption in semiconductors and insulators which incorporates the temperature dependence of the electronic structure. We show that the Hall-Bardeen-Blatt theory of indirect optical absorption and the Allen-Heine theory of temperature-dependent band struc…
Herein, we describe a simple two-step approach to prepare nickel phosphide with different phases, such as Ni2 P and Ni5 P4 , to explain the influence of material microstructure and electrical conductivity on electrochemical performance. In this approach, we first prepared a Ni-P precursor through a ball milling proces…
Helix sense-selective supramolecular polymerization was achieved using a one-handed helical nanotubular polymeric assembly as a seed. First, bipyridine (BPY)-appended achiral hexabenzocoronene ((BPY)HBC) was copolymerized noncovalently with chiral (BPY)HBC(S) (or (BPY)HBC(R)) at a molar ratio of 9:1, which, via the se…
Simultaneous control of the size and chemical composition is an advantageous strategy to obtain the desired photochemical properties of multinary semiconductor nanocrystals, ZnS-AgInS 2 solid solution ((AgIn) x Zn 2(1– x ) S 2, ZAIS) nanocrystals (NCs), being different from conventional binary nanocrystals. The energy…
Abstract Small additions of rare-earth (RE) elements have been shown to have a powerful effect in modifying the texture of wrought magnesium alloys, giving a highly beneficial effect in improving their formability. Recent work has shown that segregation of RE atoms to grain boundaries is important in producing this te…
Hexagonal molybdenum diselenide (MoSe2) multilayers were grown by chemical vapor deposition (CVD). A relatively high pressure (>760 Torr) was used during the CVD growth to achieve multilayers by creating multiple nuclei based on the two-dimensional crystal growth model. Our CVD-grown multilayer MoSe2 thin-film transis…
Efficient utilization and broader commercialization of alternative energies (e.g., solar, wind, and geothermal) hinges on the performance and cost of energy storage and conversion systems. For now and in the foreseeable future, the combination of rechargeable batteries and electrochemical capacitors remains the most p…
2D nanomaterials have been found to show surface‐dominant phenomena and understanding this behavior is crucial for establishing a relationship between a material's structure and its properties. Here, the transition of molybdenum disulfide (MoS 2 ) from a diffusion‐controlled intercalation to an emergent surface redox…
Efficient technology and applications for recycled polymer waste has become increasingly important to decrease environmental contamination and to conserve nonrenewable fossil fuels. Mechanical recycling is the most widely practiced in Australia, since it is relatively easy and economic; and moreover, infrastructure fo…