Related papers: VO2: A Novel View from Band Theory
We demonstrate an innovative multifunctional artificial material that combines exotic metamaterial properties and the environmentally responsive nature of phase change media. The tunable metamaterial is designed with the aid of two…
Two-band superconductivity has become an important topic over the last ten years. Extensive experimental and theoretical studies started with MgB2 and are now focused on the iron-based and other new superconductors. In this review, I…
Recent reports on quantum oscillations in MgB2 provide valuable information on three important aspects of this material: (1) electronic structure near the Fermi level, (2) disparity of the electron-phonon interaction between the two systems…
Use of electrode materials that show phase change behavior and hence drastic changes in electrochemical activity during operation, have not been explored for Li-ion batteries. Here we demonstrate the vanadium oxide (VO2) cathode that…
Subwavelength nanoparticles can support electromagnetic resonances with distinct features depending on their size, shape and nature. For example, electric and magnetic Mie resonances occur in dielectric particles, while plasmonic resonances…
During the last decade, ab initio methods to calculate electronic structure of materials based on hybrid functionals are increasingly becoming widely popular. In this Letter, we show that, in the case of small gap transition metal oxides,…
In this work, a thermal switch is proposed based on the phase-change material vanadium dioxide (VO2) within the framework of near-field radiative heat transfer (NFRHT). The radiative thermal switch consists of two metamaterials filled with…
Vanadium oxides have been highly attractive for over half a century since the discovery of the metal insulator transition near room temperatures. Here NaxVO2 is studied through a systematic comparison with other layered sodium metal oxides…
We calculated the optical response of metallic and insulating VO2 using the LDA approach. The band structure calculation was based in the full-potential linear-muffin-tin method. The imaginary part of the dielectric function e2(w) is…
We present a Density Functional Theory (DFT) study of the structural and electronic properties of bare rutile VO$_{2}$(110) surfaces and its oxygen-rich terminations. We discuss the performance of various DFT functionals, including PBE,…
Electrically driven insulator-metal transitions in prototypical quantum materials such as VO2 offer a foundational platform for designing novel solid-state devices. Tuning the V: O stoichiometry offers a vast electronic phase space with…
We have investigated the electronic, vibrational, optical, thermal and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ using the first-principles calculation based on the density functional theory. It also shows…
Textured VO2(011) microcrystals are grown in the monoclinic, M1 phase which undergo a reversible first order semiconductor to metal transition (SMT) accompanied by a structural phase transition to rutile tetragonal, R phase. Around the…
We report the epitaxial growth and the electrical properties, especially the metal-to-insulator transition (MIT), of vanadium dioxide (VO2) thin films synthesized on LSAT (111) ([LaAlO3]0.3[Sr2AlTaO6]0.7) substrates by pulsed laser…
The metal-insulator transition in VO2 was investigated using the three-band Hubbard model, in which the degeneracy of the 3d orbitals, the on-site Coulomb and exchange interactions, and the effects of lattice distortion were considered. A…
In this paper we used Raman spectroscopy to investigate the optical properties of vanadium dioxide (VO2) thin films during the thermally induced insulating to metallic phase transition. We observed a significant difference in transition…
Coupled structural and electronic phase transitions underlie the multifunctional properties of strongly-correlated materials. For example, colossal magnetoresistance1,2 in manganites involves phase transition from paramagnetic insulator to…
Soft x-ray spectroscopy is used to investigate the strain dependence of the metal-insulator transition of VO2. Changes in the strength of the V 3d - O 2p hybridization are observed across the transition, and are linked to the structural…
The past few years has brought renewed focus on the physics behind the class of materials characterized by long-range interactions and wide regions of low electron density, sparse matter. There is now much work on developing the appropriate…
Titanium dioxide is one of the most widely investigated oxides. This is due to its broad range of applications, from catalysis to photocatalysis to photovoltaics. Despite this large interest, many of its bulk properties have been sparsely…