scholarly journals Normal & Reversed Spin Mobility in a Diradical By Electron-Vibration Coupling

2020 ◽  
Author(s):  
Yi Shen ◽  
Guodong Xue ◽  
Yasi Dai ◽  
Sergio Moles Quintero ◽  
Hanjiao Chen ◽  
...  
Keyword(s):  
Solid State ◽  
Thermal Excitation ◽  
Structural Flexibility ◽  
Vibrational States ◽  
Temperature Dependent ◽  
Spin Distribution ◽  
Vibration Mechanism ◽  
Rotational Motions ◽  
Vibration Coupling ◽  
Main Effects

Abstract New insights on the mechanisms of spin relaxation and spin mobility in connection with the structural flexibility of π-conjugated radicals are fundamental solid-state issues in organic spintronics. Here, we describe a new azobenzene-based organic diradical with a dumbbell shape in the crystal and correlate its solid-state flexibility and its spin diradical structure. X-ray temperature-dependent studies were carried out showing two main effects on heating: i) modulation of the spin distribution and of the low-to-high spin magnetic transitions; and ii) “normal” quinoidal→aromatic transformation at low temperatures driven by the intramolecular rotational motions/mobility of the azobenzene core, and a “reversed” aromatic→quinoidal change at high temperatures activated by a bicycle pedal motion in the azobenzene unit amplified by anisotropic intermolecular interactions. Sequential versus simultaneous thermal excitation of the vibrational states associated to these motions reveal a unique and unprecedented spin-vibration mechanism.

scholarly journals Normal & reversed spin mobility in a diradical by electron-vibration coupling

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yi Shen ◽  
Guodong Xue ◽  
Yasi Dai ◽  
Sergio Moles Quintero ◽  
Hanjiao Chen ◽  
...  
Keyword(s):  
Solid State ◽  
Spin Relaxation ◽  
Great Promise ◽  
Thermal Excitation ◽  
X Ray Diffraction ◽  
Vibrational States ◽  
Spin Distribution ◽  
Future Design ◽  
Vibration Coupling ◽  
Coupling Mechanisms

Abstractπ−conjugated radicals have great promise for use in organic spintronics, however, the mechanisms of spin relaxation and mobility related to radical structural flexibility remain unexplored. Here, we describe a dumbbell shape azobenzene diradical and correlate its solid-state flexibility with spin relaxation and mobility. We employ a combination of X-ray diffraction and Raman spectroscopy to determine the molecular changes with temperature. Heating leads to: i) a modulation of the spin distribution; and ii) a “normal” quinoidal → aromatic transformation at low temperatures driven by the intramolecular rotational vibrations of the azobenzene core and a “reversed” aromatic → quinoidal change at high temperatures activated by an azobenzene bicycle pedal motion amplified by anisotropic intermolecular interactions. Thermal excitation of these vibrational states modulates the diradical electronic and spin structures featuring vibronic coupling mechanisms that might be relevant for future design of high spin organic molecules with tunable magnetic properties for solid state spintronics.

Temperature-Dependent Solid-state Luminescence and Reversible Phase Transition of (n-Bu4N)[Au(SC6H3-3,5-Me2)2]

2003 ◽  
Vol 32 (11) ◽  
pp. 1002-1003 ◽  
Author(s):  
Seiji Watase ◽  
Takayuki Kitamura ◽  
Nobuko Kanehisa ◽  
Masami Nakamoto ◽  
Yasushi Kai ◽  
...  
Keyword(s):  
Phase Transition ◽  
Solid State ◽  
Temperature Dependent ◽  
Reversible Phase Transition ◽  
Reversible Phase ◽  
State Luminescence

Interpretation of temperature-dependent low frequency vibrational spectrum of solid-state benzoic acid dimer

2009 ◽  
Vol 479 (4-6) ◽  
pp. 211-217 ◽  
Author(s):  
Masae Takahashi ◽  
Yoshiyuki Kawazoe ◽  
Yoichi Ishikawa ◽  
Hiromasa Ito
Keyword(s):  
Solid State ◽  
Vibrational Spectrum ◽  
Benzoic Acid ◽  
Low Frequency ◽  
Temperature Dependent

Gallium-containing Heusler phases ScRh2Ga, ScPd2Ga, TmRh2Ga and LuRh2Ga – magnetic and solid state NMR-spectroscopic characterization

2017 ◽  
Vol 72 (8) ◽  
pp. 609-615
Author(s):  
Lukas Heletta ◽  
Stefan Seidel ◽  
Christopher Benndorf ◽  
Hellmut Eckert ◽  
Rainer Pöttgen
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Spectroscopic Characterization ◽  
Structural Disorder ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Phase Purity ◽  
X Ray ◽  
Arc Melting ◽  
Pauli Paramagnetism

AbstractThe gallium-containing Heusler phases ScRh2Ga, ScPd2Ga, TmRh2Ga and LuRh2Ga have been synthesized by arc-melting of the elements followed by different annealing sequences to improve phase purity. The samples have been studied by powder X-ray diffraction. The structures of Lu0.97Rh2Ga1.03 (Fm3̅m, a=632.94(5) pm, wR2=0.0590, 46 F2 values, seven variables) and Sc0.88Rh2Ga1.12 (a=618.91(4) pm, wR2=0.0284, 44 F2 values, six variables) have been refined from single crystal X-ray diffractometer data. Both gallides show structural disorder through Lu/Ga and Sc/Ga mixing. Temperature dependent magnetic susceptibility measurements showed Pauli paramagnetism for ScRh2Ga, ScPd2Ga, and LuRh2Ga and Curie-Weiss paramagnetism for TmRh2Ga. 45Sc and 71Ga solid state MAS NMR spectroscopic investigations of the Sc containing compounds confirmed the site mixing effects typically observed for Heusler phases. The data indicate that the effect of mixed Sc/Ga occupancy is significantly stronger in ScRh2Ga than in ScPd2Ga.

scholarly journals Temperature-Dependent Solid-State NMR Proton Chemical-Shift Values and Hydrogen Bonding

2021 ◽  
Author(s):  
Alexander A. Malär ◽  
Laura A. Völker ◽  
Riccardo Cadalbert ◽  
Lauriane Lecoq ◽  
Matthias Ernst ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Chemical Shift ◽  
Hydrogen Bonds ◽  
Solid State Nmr ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
Proton Chemical Shift ◽  
Temperature Dependent

Temperature-dependent NMR experiments are often complicated by rather long magnetic-field equilibration times, for example occurring upon a change of sample temperature. We demonstrate that the fast temporal stabilization of the magnetic field can be achieved by actively stabilizing the temperature which allows to quantify the weak temperature dependence of the proton chemical shift which can be diagnostic for the presence of hydrogen bonds. Hydrogen bonding plays a central role in molecular recognition events from both fields, chemistry and biology. Their direct detection by standard structure determination techniques, such as X-ray crystallography or cryo-electron microscopy, remains challenging due to the difficulties of approaching the required resolution, on the order of 1 Å. We herein explore a spectroscopic approach using solid-state NMR to identify protons engaged in hydrogen bonds and explore the measurement of proton chemical-shift temperature coefficients. Using the examples of a phosphorylated amino acid and the protein ubiquitin, we show that fast Magic-Angle Spinning (MAS) experiments at 100 kHz yield sufficient resolution in proton-detected spectra to quantify the rather small chemical-shift changes upon temperature variations.<br>

Insight into Channel Conduction Mechanisms of 4H-SiC(0001) MOSFET Based on Temperature-Dependent Hall Effect Measurement

2020 ◽  
Vol 1004 ◽  
pp. 620-626
Author(s):  
Hironori Takeda ◽  
Mitsuru Sometani ◽  
Takuji Hosoi ◽  
Takayoshi Shimura ◽  
Hiroshi Yano ◽  
...  
Keyword(s):  
Hall Effect ◽  
Field Effect ◽  
Elevated Temperatures ◽  
Field Effect Transistors ◽  
Free Carrier ◽  
Oxide Semiconductor ◽  
Thermal Excitation ◽  
Temperature Dependent ◽  
Conduction Mechanisms ◽  
The Impact

Temperature-dependent Hall effect measurements were conducted to investigate the channel conduction mechanisms of 4H-SiC metal-oxide-semiconductor field-effect transistors (MOSFETs). This method allows us to discriminate the impact of the density of mobile (free) carriers in the inversion channels and their net mobility on the performance of SiC MOSFETs. It was found that, while the free carrier ratio of SiC MOSFETs with conventional gate oxides formed by dry oxidation is below 4% at 300 K, increasing the free carrier ratio due to thermal excitation of trapped electrons from SiO2/SiC interfaces leads to an unusual improvement in the field-effect mobility of SiC MOSFETs at elevated temperatures. Specifically, a significant increase in free carrier density surpasses the mobility degradation caused by phonon scattering for thermally grown SiO2/SiC interfaces. It was also found that, although nitrogen incorporation in SiO2/SiC interfaces increases the free carrier ratio typically up to around 30%, introduction of an additional scattering factor associated with interface nitridation compensates for the moderate amount of thermally generated mobile carriers at high temperatures, indicating a fundamental drawback of nitridation of SiO2/SiC interfaces. On the basis of these findings, we discuss the channel conduction mechanisms of SiC MOSFETs.

Modelling Semi-Solid Behaviour and Brittle Temperature Range

2019 ◽  
Vol 285 ◽  
pp. 361-366 ◽  
Author(s):  
Khalil Traidi ◽  
Véronique Favier ◽  
Philippe Lestriez ◽  
Karl Debray ◽  
Laurent Langlois ◽  
...  
Keyword(s):  
Solid State ◽  
Material Properties ◽  
Solid Phase ◽  
Thermal Conditions ◽  
Tensile Tests ◽  
Internal Variable ◽  
Temperature Dependent ◽  
Brittle Transition ◽  
Semi Solid ◽  
First Time

In this paper, a new elastic viscoplastic micromechanical modelling is proposed to represent the semi-solid behaviour and predict the ductile-brittle transition of the C38LTT near the solidus. It is based on a viscoplastic modelling previously presented in [1]. The originality of the new model comes from three main enhancements: the transition between the solid state and the semi-solid state was included meaning that the material properties were taken temperature-dependent, the elastic properties was taken into account similarly as [2] and the evolution of the internal variable describing the degree of agglomeration of the solid phase was enhanced. The model was implemented in the commercial software FORGE©. Tensile tests representing the experimental thermal conditions and obtained using a GLEEBLE© machine were simulated. The comparison of the predicted and experimental results shows that, for the first time to our knowledge, the three steps of the load-displacement response and ductile-brittle transition were successfully described.

scholarly journals Optothermotronic effect as an ultrasensitive thermal sensing technology for solid-state electronics

2020 ◽  
Vol 6 (22) ◽  
pp. eaay2671 ◽  
Author(s):  
T. Dinh ◽  
T. Nguyen ◽  
A. R. M. Foisal ◽  
H.-P. Phan ◽  
T.-K. Nguyen ◽  
...  
Keyword(s):  
Solid State ◽  
High Performance ◽  
Charge Carriers ◽  
Thermal Excitation ◽  
Light Illumination ◽  
Solid State Electronics ◽  
Sensing Applications ◽  
Sensing Technology ◽  
Thermal Sensing ◽  
Sensing Performance

The thermal excitation, regulation, and detection of charge carriers in solid-state electronics have attracted great attention toward high-performance sensing applications but still face major challenges. Manipulating thermal excitation and transport of charge carriers in nanoheterostructures, we report a giant temperature sensing effect in semiconductor nanofilms via optoelectronic coupling, termed optothermotronics. A gradient of charge carriers in the nanofilms under nonuniform light illumination is coupled with an electric tuning current to enhance the performance of the thermal sensing effect. As a proof of concept, we used silicon carbide (SiC) nanofilms that form nanoheterostructures on silicon (Si). The sensing performance based on the thermal excitation of charge carriers in SiC is enhanced by at least 100 times through photon excitation, with a giant temperature coefficient of resistance (TCR) of up to −50%/K. Our findings could be used to substantially enhance the thermal sensing performance of solid-state electronics beyond the present sensing technologies.

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