Search results for "general [Supernovae]"
showing 10 items of 28822 documents
Pressure-induced instability of the fergusonite phase of EuNbO4 studied by in situ Raman spectroscopy, x-ray diffraction, and photoluminescence spect…
2020
In this article, we present high-pressure experimental investigations on EuNbO4, an interesting technologically important material, using synchrotron based x-ray powder diffraction, Raman spectroscopy, and europium photoluminescence measurements up to 39.2, 31.6, and 32.4 GPa, respectively. All three techniques show the stability of the ambient monoclinic phase until 20 GPa. Beyond that, a pressure-induced structural phase transition takes place with the coexistence of two phases over a wide pressure range. The structure of the high-pressure phase has been determined as orthorhombic (space group: Imma) with a volume discontinuity of nearly 9% at the transition indicating the nature of trans…
Long-term evolution of luminescent properties in CdI2 crystals
2016
Fresh and aged melt-grown or gas-phase grown CdI2 crystals are studied by means of low-temperature photoluminescence spectroscopy. Noticeable transformations of emission spectra are observed after long-term aging. The formation of nanostructures containing cadmium oxide and cadmium hydroxide as well as the changes in local surrounding of iodine atoms and the possible growth of polytypic modifications of CdI2 are taken into account when considering the diversity of optical spectra.
High pressure crystal structures of orthovanadates and their properties
2020
Pressure-induced phase transitions in orthovanadates have led to interesting physical phenomena. The observed transitions usually involve large volume collapses and drastic changes in the electronic and vibrational properties of the materials. In some cases, the phase transitions implicate coordination changes in vanadium, which has important consequences in the physical properties of vanadates. In this Perspective, we explore the current knowledge of the behavior of MVO4 vanadates under compression. In particular, we summarize studies of the structural, vibrational, and electronic properties and a few illustrative examples of high-pressure research in the compounds of interest are discusse…
Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations
2016
We have performed density functional theory calculations using the HSE06 hybrid functional to investigate the energetics, atomic, and electronic structure of intrinsic defects as well as Na and K impurities in the kesterite structure of the Cu2ZnSnSe4 (CZTSe) solar cell material. We found that both Na and K atoms prefer to be incorporated into this material as substitutional defects in the Cu sublattice. At this site highly stable (Na–Na), (K–K), and (Na–K) dumbbells can form. While Na interstitial defects are stable in CZTSe, the formation of K interstitial defects is unlikely. In general, the calculated formation energies for Na-related defects are always lower compared to their K-related…
Comparative Theoretical Analysis of BN Nanotubes Doped with Al, P, Ga, As, In, and Sb
2013
SUMMARY AND CONCLUDING REMARKS We have performed large-scale first-principles calculations ofthe electronic structure of (5,5) boron nitride nanotubescontaining the following substitutional impurity atoms: Al, P,Ga, As, In, and Sb. Calculations have been performed using thetwo methods: (i) linear combination of atomic orbitals(LCAO) with the atomic-centered Gaussian-type functions asa basis set and (ii) linearized augmented cylindrical wave(LACW) accompanied with the local density functional andmuffin-tin approximations for the electronic potential. In arelatively good qualitative agreement, both methods predict lowformation energies and, thus, relative stability of point defectsthat are assoc…
The influence of AlN buffer over the polarity and the nucleation of self-organized GaN nanowires
2015
We experimentally investigate the influence of AlN buffer growth on the nucleation and the polarity of a self-organized assembly of GaN nanowires (NWs) grown on Si. Two complementary growth mechanisms for AlN buffer deposited on Si are demonstrated. Both emphasize the aggregation of Si on the AlN surface and the growth of large cubic crystallites, namely, AlN pedestals. Further growths of GaN NWs assembly reveal that the GaN 2D layer found at the bottom of the NW assembly is the result of the coalescence of Ga-polar pyramids, whereas AlN pedestals are observed as preferential but not exclusive NW nucleation sites. NWs are N-polar or exhibit inversion domains with a Ga-polar core/N-polar she…
Spin Hall magnetoresistance in antiferromagnetic insulators
2020
Antiferromagnetic materials promise improved performance for spintronic applications, as they are robust against external magnetic field perturbations and allow for faster magnetization dynamics compared to ferromagnets. The direct observation of the antiferromagnetic state, however, is challenging due to the absence of a macroscopic magnetization. Here, we show that the spin Hall magnetoresistance (SMR) is a versatile tool to probe the antiferromagnetic spin structure via simple electrical transport experiments by investigating the easy-plane antiferromagnetic insulators $\alpha$-Fe2O3 (hematite) and NiO in bilayer heterostructures with a Pt heavy metal top electrode. While rotating an ext…
Tailoring the anomalous Hall effect of SrRuO$_3$ thin films by strain: a first principles study
2021
Motivated by the recently observed unconventional Hall effect in ultra-thin films of ferromagnetic SrRuO$_3$ (SRO) we investigate the effect of strain-induced oxygen octahedral distortion in the electronic structure and anomalous Hall response of the SRO ultra-thin films by virtue of density functional theory calculations. Our findings reveal that the ferromagnetic SRO films grown on SrTiO$_3$ (in-plane strain of $-$0.47$\%$) have an orthorhombic (both tilting and rotation) distorted structure and with an increasing amount of substrate-induced compressive strain the octahedral tilting angle is found to be suppressed gradually, with SRO films grown on NdGaO$_3$ (in-plane strain of $-$1.7$\%$…
Large Zero-Field Cooled Exchange-Bias in BulkMn2PtGa
2013
We report a large exchange-bias (EB) effect after zero-field cooling the new tetragonal Heusler compound Mn2PtGa from the paramagnetic state. The first-principle calculation and the magnetic measurements reveal that Mn2PtGa orders ferrimagnetically with some ferromagnetic (FM) inclusions. We show that ferrimagnetic (FI) ordering is essential to isothermally induce the exchange anisotropy needed for the zero-field cooled (ZFC) EB during the virgin magnetization process. The complex magnetic behavior at low temperatures is characterized by the coexistence of a field induced irreversible magnetic behavior and a spin-glass-like phase. The field induced irreversibility originates from an unusual…
Phase segregation in Mg$_{x}$Zn$_{1-x}$O probed by optical absorption and photoluminescence at high pressure
2017
The appearance of segregated wurtzite Mg$_x$Zn$_{1-x}$O with low Mg content in thin films with $x>0.3$ affected by phase separation, cannot be reliably probed with crystallographic techniques owing to its embedded nanocrystalline configuration. Here we show a high-pressure approach which exploits the distinctive behaviors under pressure of wurtzite Mg$_x$Zn$_{1-x}$O thin films with different Mg contents to unveil phase segregation for $x>0.3$. By using ambient conditions photoluminescence (PL), and with optical absorption and PL under high pressure for $x=0.3$ we show that the appearance of a segregated wurtzite phase with a magnesium content of x $\sim$ 0.1 is inherent to the wurtzit…