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Self-resonance in the atomic vibration occurs when the average wavelength of the phonon thermal vibration is equivalent or harmonic of the diameters of the atoms. It is suggested that applying pressure at temperature corresponding to the self-resonance should effectively reduce the number of vacancies. This theoretical prediction is tested on Niobium by measuring the magnetic susceptibility of the untreated and treated samples. The applied pressure-temperature treatment increased the critical temperature of Niobium by about 30 percent which was also accompanied with volume increase.
Simple general formula describing the p-V-T relationships of elastic solids is derived from theoretical considerations. The new EoS was tested to experiments of perovskite 0-109 GPa and 293-2000 K. The parameters providing the best fit are: Ko = 267.
In a recent communication, Weber and co-workers presented a surprising study on charge-localization effects in the N,N-dimethylpiperazine (DMP+) diamine cation to provide a stringent test of density functional theory (DFT) methods. Within their study
There have existed for a long time a paradigm that TiO phases at ambient conditions are stable only if structural vacancies are available. Using an evolutionary algorithm, we perform an ab initio search of possible zero-temperature polymorphs of TiO
Many experiments in physics involve searching for a localized excess over background expectations in an observed spectrum. If the background is known and there is Gaussian noise, the amount of excess of successive observations can be quantified by th
We study single silicon vacancy (SiV) centres in chemical vapour deposition (CVD) nanodiamonds on iridium as well as an ensemble of SiV centres in a high quality, low stress CVD diamond film by using temperature dependent luminescence spectroscopy in