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When temperature changes, many materials undergo a phase transition, such as liquid water to ice, or a metal to a superconductor. Sometimes, a so-called hysteresis loop accompanies such a phase change...
Soft matter surrounds us. Materials in a variety of physical and chemical states are easily deformed when exposed to external mechanical, electrical, chemical or optical stimuli. Interdisciplinary mat...
When interfaces are formed at the junction between materials and liquids, surprising emergent dynamical properties not present in either parent phase can spontaneously coalesce at the interface. Examp...
We develop a Green's function approach to quasiparticle excitations of open-shell systems within the GW approximation. It is shown that accurate calculations of the characteristic multiplet structure ...
Here we developed a flexible and stretchable battery composed of strain free LiFePO4 cathodes, Li4Ti5O10 anode and solid poly ethylene oxide (PEO) based solid electrolyte, which might be used in smart...
Purpose: The purpose of this research paper is focused on probing of the electronic state of condutive highly oriented pyrolytic graphite (HOPG). Design/methodology/approach: Scanning tunneling micr...
We review our recent work on spatial inhomogeneity of the electronic states in the strongly correlated molecular conductors κ-(BEDT-TTF)2X. Spatial mapping of infrared spectra (SMIS) is used for imagi...
The electronic structure of boron–hydrogen complex and boron pair in diamond are studied by first-principles density-functional calculations with supercell models. The electronic structure calculate...
We study boron-doped carbon nanotubes by first-principles methods based on the density functional theory. To discuss the possibility of superconductivity, we calculate the electronic band structure ...
Hybrid density functional theory (DFT) calculations have been carried out for neutral and radical cation species of a fused selenophene oligomer, denoted by Se(n), where n represents the number of s...
FeSe film was prepared on GaAs 001 substrate by low pressure metal-organic chemical vapor deposition. The x-ray diffraction measurement indicated that the sample was preferentially oriented with tet...
Predicting electronic-band structures is a key issue in understanding the properties of materials or in materials design. In this review article, application examples of first-principles calculations,...

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