We investigated the dielectric properties of Pb(Fe1/2Nb1/2)1-xTixO3 single crystals below room temperature. Two dielectric anomalies were detected in sample A while only one was detected in sample B in the temperature range 90~300 K. A Debye-like relaxation with strong frequency dispersion was detected in both samples. The pre-edge XAFS suggests that this dielectric anomaly is induced by the hopping conductivity between Fe2+ and Fe3+. The EXAFS results give us a clear picture of the local structure of iron ions. The weak frequency dependent dielectric anomaly only observed in sample A is supposed to be due to the dipole glass behavior.
A simple description of thermodynamics of DMAAS and DMAGaS ferroelectric crystals by means of Landau expansion is proposed. Conditions of occurrence of phase transitions are established and their temperatures are obtained. The influence of external hydrostatic pressure on phase transitions is described. The temperature behaviour of dielectric susceptibility components and their anomalies in the vicinity of phase transition points are investigated. Obtained results are compared with experimental data.
Two kinds of specimens, with the major phase of Sr3Co2Fe24O41 (Sr3Co2Z) and SrCo2Fe16O27 (SrCo2W) hexaferrites respectively, were fabricated through solid-state reaction. The phase composition, magnetic and dielectric properties, magnetodielectric (MD) effect, magnetoelectric (ME) effect and pyroelectric properties were studied. Results show that magnetic and dielectric anomalies are induced by the magnetocrystalline anisotropy (MCA) transition. They can be considered as characteristic properties (e.g., Sr3Co2Z at 370 K) but are not a sufficient condition for the MD and ME coupling. The T-bloc…
We report the first audio frequency dielectric constant measurements of CO and N_2 in their solid phases. We have observed several new features, including (1) strong hysteresis effects above an onset temperature $T_{h} \simeq 42 K$ in the β-phase of pure N_2, (2) absence of the expected short range antiferroelectric dipolar ordering in CO down to 4.2 K, and (3) anomalous temperature dependence of the dielectric constant in the α-phases of both CO and N_2. Quantum mechanical treatment of the molecular rotation explains some of the observed anomalies in the α-phase, but the strong hysteresis ind…
The solid solution 0.5Ba(Ti0.8Zr0.2)O3-0.5(Ba0.7Ca0.3)TiO3 (BCZT) is a promising lead-free piezoelectric material with exceptionally high piezoelectric coefficients. The strong response is related to structural instabilities close to ambient temperature. We report here on temperature-induced anomalies in the dielectric, piezoelectric, and elastic coefficients and Raman spectroscopy of ceramic BCZT. The data indicate ferroelectric-ferroelectric structural phase transitions in this material in addition to those previously reported. An anomaly is also observed above the Curie temperature TC and i…
Complex electrical permittivity measurements in (1-x)[Pb(Mg1/3 Nb2/3)O3]-xPbTiO3 ceramics for 0.10 x 0.40 were performed in the frequency and temperature range from 1 kHz to 100 kHz and from 15 to 600 K, respectively. Unexpected dielectric anomalies, which were frequency dependent, were found at cryogenic temperatures. It was verified that this dielectric behavior is always observed, independently of whether the composition presents a "normal" ferroelectric or a relaxor characteristic. The results were analyzed within the framework of two current models found in the literature. It was conclude…
Dielectric response has been studied for a new manganocuprate, Gd3Ba2Mn2Cu2O12 (Gd3222) as a function of temperature (100 - 300 K) and frequency (75 kHz to 1 MHz). The dielectric constant (e) exhibits a two step increase (two peaks) in e(T) with increasing temperature from 100 to 300 K. The first peak is seen around 150 K and the second one around 210 K (both for 75 kHz). Increasing frequency shifts both the peaks to higher temperature side. The behavior of dielectric constant (e) and dielectric loss (tan_delta) matches with glassy behavior observed in many dipolar molecules.
The dielectric constant of multiferroic hexagonal HoMnO_3 exhibits an unprecedented diversity of anomalies at low temperatures (1.8 K< T <10 K) and under external magnetic fields related to magnetic phase transitions in the coupled system of Ho moments, Mn spins, and ferroelectric polarization. The derived phase diagram is far more complex than previously assumed including reentrant phases, phase transitions with distinct thermal and field hysteresis, as well as several multicritical points. Magnetoelastic interactions introduce lattice anomalies at the magnetic phase transitions. The re-evalu…
GdFe3(BO3)4 exhibits a structural phase transition at 156 K, antiferromagnetic order of the Fe3+ moments at 36 K followed by a spin reorientation phase transition at 9 K. The reorientation phase transition is studied through dielectric, magnetic and heat capacity measurements under the application of external magnetic fields of up to 7 kOe. The dielectric constant indicates the existence of two distinct anomalies at T_SR = 9 K that separate in temperature under external magnetic fields. The spin rotation phase transition is proven to be of the first-order nature through the magnetic analogue o…
In-plane temperature dependent dielectric behavior of BiFeO3 (BFO) as-grown thin films show diffuse but prominent phase transitions near 450 (+/-10) K and 550 K with dielectric loss temperature dependences that suggest skin layer effects. The 450 K anomalies are near the "transition" first reported by Polomska et al. [Phys. Stat. Sol. 23, 567 (1974)]. The 550 K anomalies coincide with the surface phase transition recently reported [Xavi et al. PRL 106, 236101 (2011)]. In addition, anomalies are found at low temperatures: After several experimental cycles the dielectric loss shows a clear relax…
We present a novel method for the calculation of the static and electronic dielectric tensor of polar insulating crystals based on concepts from the modern theory of dielectric polarization. As an application, we present the first ab initio calculation of the dielectric constants in the wurtzite III-V nitrides AlN, GaN, and InN.
The development of new high dielectric materials is essential for advancement in modern electronics. Oxides are generally regarded as the most promising class of high dielectric materials for industrial applications as they possess both high dielectric constants and large band gaps. Most previous researches on high dielectrics were limited to already known materials. In this study, we conducted an extensive search for high dielectrics over a set of ternary oxides by combining crystal structure prediction and density functional perturbation theory calculations. From this search, we adopted mult…
Influence of the calcium concentration on the pyroelectric and dielectric properties of CaxBa1-xNb2O6 (CBN) crystals in a wide temperature range was studied. It is shown that calcium content (x) has an influence on the Curie point position but has no effect on the dielectric hysteresis loop shape and the appearance of temperature variations of dielectric permittivity, coercive field and remanent polarization. At the same time, it is found that x affects the polarization profile.
We use a near-field scanning microwave microscope to simultaneously image the dielectric constant, loss tangent, and topography in a PbTiO_3 crystal. By this method, we study the effects of the local dielectric constant and loss tangent in the geometry of periodic domains on the measured resonant frequency, and quality factor. We also carry out theoretical calculations and the results agree well with the experimental data and reveal the anisotropic nature of dielectric constant.
The authors of the title paper report to have grown ammonium hydrogen L-tartrate (1) by use of L-glutamine and L-tartaric acid in 1:1 mole ratio. Many points of criticism pertaining to the characterization of 1 are described herein.
Recently, materials exhibiting colossal dielectric constant ($CDC$) have attracted significant attention because of their high dielectric constant and potential applications in electronic devices, such as high dielectric capacitors, capacitor sensors, random access memories and so on.
We present a first-principles study on the dielectric properties of an NaCl crystal and ultrathin NaCl films under a finite external electric field. Our results show that the high-frequency dielectric constant of the films is not affected by the finite size effect from crystal surfaces and is close to that of the crystal, whereas the static one is sensitive to the thickness of the film due to the difference in the atomic configurations between the surface and inside of the film.
We investigate the low temperature behaviour of Pb(In$_{1/2}$Nb$_{1/2}$)O$_{3}$-Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$-PbTiO$_{3}$ using dielectric permittivity measurements. We compare single crystal plates measured in the [001] and [111] directions with a polycrystalline ceramic of the same composition. Poled crystals behave very differently to unpoled crystals, whereas the dielectric spectrum of the ceramic changes very little on poling. A large, frequency dependent dielectric relaxation seen in the poled [001] crystal around 100 K is much less prominent in the [111] crystal, and doesn't occur in …
We combine ab initio simulations and Raman scattering measurements to demonstrate explicit anharmonic effects in the temperature dependent dielectric response of a NaCl single crystal. We measure the temperature evolution of its Raman spectrum and compare it to both a quasi-harmonic and anharmonic model. Results demonstrate the necessity of including anharmonic lattice dynamics to explain the dielectric response of NaCl, as it is manifested in Raman scattering. Our model fully captures the linear dielectric response of a crystal at finite temperatures and may therefore be used to calculate the…
We have investigated the structural, magnetic, thermodynamic, and dielectric properties of polycrystalline CoCr$_2$O$_4$, an insulating spinel exhibiting both ferrimagnetic and spiral magnetic structures. Below $T_c$ = 94 K the sample develops long-range ferrimagnetic order, and we attribute a sharp phase transition at $T_N$ $\approx$ 25 K with the onset of long-range spiral magnetic order. Neutron measurements confirm that while the structure remains cubic at 80 K and at 11 K; there is complex magnetic ordering by 11 K. Density functional theory supports the view of a ferrimagnetic semiconduc…
Effective mass anomalies due to the geometrical effects are investigated in silicon nanostructures using first-principles calculations for the first time. In \{111\} and \{110\} biaxially strained Si, it is found that longitudinal effective mass is extraordinarily enhanced for both thin films and crystals. This mass enhancement is caused by the change of the band structure with double minima into that with a single minimum due to strain and confinement. At the transition point, it is analytically shown that the effective mass diverges. The dependences of the confinement thickness on the anomal…
We bring out novel dielectric behavior of a spin-chain compound, Ca3Co2O6, undergoing Neel order at (T_N=) 24 K. It is found that the virgin curve in the plot of isothermal dielectric constant versus magnetic-field lies outside the 'butterfly-shaped' envelope curve well below T_N (e.g., 2.6 K), with a signature of a partial arrest of the high-field magnetoelectric ME) phase in zero-field after travelling through magnetic-field-induced magnetic transitions. This behavior is in contrast to that observed in the isothermal magnetization data. Thus, this work brings out a novel case for 'phase-coex…
We have investigated the dielectric anomalies associated with spin ordering transitions in the tetragonal spinel Mn$_3$O$_4$, using thermodynamic, magnetic, and dielectric measurements. We find that two of the three magnetic ordering transitions in Mn$_3$O$_4$ lead to decreases in the temperature dependent dielectric constant at zero applied field. Applying a magnetic field to the polycrystalline sample leaves these two dielectric anomalies practically unchanged, but leads to an increase in the dielectric constant at the intermediate spin-ordering transition. We discuss possible origins for th…
We have performed a comparative study of rubrene single-crystal field-effect transistors fabricated using different materials as gate insulator. For all materials, highly reproducible device characteristics are obtained. The achieved reproducibility permits to observe that the mobility of the charge carriers systematically decreases with increasing the dielectric constant of the gate insulator, the decrease being proportional to (epsilon)-1. This finding demonstrates that the mobility of carriers in organic single-crystal field-effect transistors is an intrinsic property of the crystal/dielect…
We report the effect of Ba and Zr co-substitution on structural, dielectric, magnetic and magnetoelectric properties of BiFeO3 multiferroics. Polycrystalline nanoceramic samples of Bi1- xBaxFe1-yZryO3 have been synthesized by auto-combustion method. Rietveld refinement result of X-ray diffraction data indicate a contraction of unit cell volume with increase in x and y. Field emission scanning electron micrographs show densely populated grains without any voids or defects with well-defined grain boundary and decrease in grain size with increasing x and y. The result of dielectric measurement di…
Low-frequency dielectric spectra of high-resistivity GaSe layered crystals have been studied on the samples clamped between two insulating parallel plates at frequencies up to 100 kHz. The measurements have been carried out at different uniaxial stresses up to $2.4\times10^5$ Pa applied along the c-axis normal to crystal layer's plane. It is revealed that the dielectric spectra of high-resistivity GaSe layered crystals with insulating plates obey a universal power law ${\sim}ω^{n-1}$, where $ω$ is the angular frequency and $n\approx 0.8$, earlier observed on high-resistivity GaSe crystals with…
Three properties of the dielectric relaxation in ultra-pure single crystalline H$_{2}$O ice Ih were probed at temperatures between 80-250 K; the thermally stimulated depolarization current, static electrical conductivity, and dielectric relaxation time. The measurements were made with a guarded parallel-plate capacitor constructed of fused quartz with Au electrodes. The data agree with relaxation-based models and provide for the determination of activation energies, which suggest that relaxation in ice is dominated by Bjerrum defects below 140 K. Furthermore, anisotropy in the dielectric relax…
With gradual temperature increase in premelting regions of solid phase of methanol and high pressure phase of ethanol, and using novel procedure of separation of electrode polarization effects, we are able to register the contribution of relaxation process to low-frequency dielectric constant. This contribution is about half the liquid's dielectric constant near temperature of solidification , and is almost an order of magnitude higher than reported earlier for ambient pressure phase of methanol. As opposed to dielectric constant of water at ambient pressure, which does not change much during …
Dielectric investigations of the relaxor ferroelectric Pb(Mg1/3Nb2/3)O3 crystal were performed in the frequency domain at 10^(-4) 10^5 Hz. In the ergodic relaxor phase two overlapping relaxation processes obeying the Kohlrausch-Williams-Watts law, exp[-(t/tau)^beta], and the Curievon Schweidler law, t^(-n), respectively, were found and parameterized. The values of beta, n and 1/tau tend to zero at 211 K following the Vogel-Fulcher law, pointing to the glassy freezing of the dipole dynamics related to both relaxation processes.
We have performed the calculations of the size effect in the temperature dependence of BaTiO3 nanograin ceramics specific heat and dielectric permittivity. We took into account the distribution of the grain sizes, that exists in any real nanomaterial. This distribution lead to the distribution of the temperatures of the size driven transition from ferroelectric to paraelectric phase because of relation between the temperature and the sizes. We calculated the transition temperature distribution function on the basis of the sizes distribution function. This function allowed to calculate the temp…
Experimental data obtained for PbFe$_{1 / 2}$Ta$_{1 / 2}$O$_{3}$ (PFT) and NaNbO$_{3}$: Gd (NaNbGd) single crystals show a diffused dielectric permittivity peak that is inherent to relaxor ferroelectrics. However some deviations from the normal relaxor properties were also observed and are under discussion. One of the key features of the relaxors is the existence of the Burns temperature, at which the polar regions appear. We found out that PFT shows this feature but the NaNbGd dielectric behavior is different. We analyse these properties within a phenomenological theory and propose a microsco…
In contrast to ordinary ferroelectrics where the temperature, Tm, of the permittivity maximum monotonically increases with bias field, E, in (1-x)PbMg1/3Nb2/3O3-(x)PbTiO3 (0<x<0.35) single crystals, Tm was found to remain constant or decrease with E up to a certain threshold field, Et, above which Tm starts increasing. Et decreases with x and almost disappears at about x=0.4. We explain this field dependence by the quenched random fields and coupling between the orientable dipoles with average polarization. For crystals with 0.06<x<0.13, the T-E phase diagrams are constructed, which include th…
The dielectric tensor of $β$-Ga$_2$O$_3$ was determined by generalized spectroscopic ellipsometry in a wide spectral range from $0.5\,\mathrm{eV}$ to $8.5\,\mathrm{eV}$ as well as by calculation including quasiparticle bands and excitonic effects. The dielectric tensors obtained by both methods are in excellent agreement with each other and the observed transitions in the dielectric function are assigned to the corresponding valence bands. It is shown that the off-diagonal element of the dielectric tensor reaches values up to $|\varepsilon_{xz} | \approx 0.30 $ and cannot be neglected. Even in…
The development of dielectric materials with colossal permittivity is important for the miniaturization of electronic devices and fabrication of high-density energy-storage devices. The electron-pinned defect-dipoles has been recently proposed to boost the permittivity of (Nb + In) co-doped TiO2 to 105. However, the follow-up studies suggest an extrinsic contribution to the colossal permittivity from thermally excited carriers. Herein, we demonstrate a marked enhancement in the permittivity of (Nb + In) co-doped TiO2 single crystals at sufficiently low temperatures such that the thermally exci…
Polarized infrared reflectivity spectra of a (110)-oriented TbScO3 single crystal plate were measured down to 10 K. The number of observed polar phonons active along the crystallographic c axis at low temperatures is much higher than predicted by factor-group analysis for the orthorhombic Pbnm space group. Moreover, the lowest frequency phonons active in E||c as well as in E||[1-10] polarized spectra exhibit dramatic softening tending to a lattice instability at low temperatures. The dielectric permittivity at microwave frequencies does not show any ferroelectric-like anomaly, but the dielectr…
Dielectric breakdown has historically been of great interest from the perspectives of fundamental physics and electrical reliability. However, to date, the anisotropy in the dielectric breakdown has not been discussed. Here, we report an anisotropic dielectric breakdown strength (EBD) for h-BN, which is used as an ideal substrate for two-dimensional (2D) material devices. Under a well-controlled relative humidity, EBD values in the directions both normal and parallel to the c axis (EBD+c & EBD//c) were measured to be 3 and 12 MV/cm, respectively. When the crystal structure is changed from sp3 …
The correlation-driven Mott transition is commonly characterized by a drop in resistivity across the insulator-metal phase boundary; yet, the complex permittivity provides a deeper insight into the microscopic nature. We investigate the frequency- and temperature-dependent dielectric response of the Mott insulator $κ$-(BEDT-TTF)$_{2}$-Cu$_2$(CN)$_3$ when tuning from a quantum spin liquid into the Fermi-liquid state by applying external pressure and chemical substitution of the donor molecules. At low temperatures the coexistence region at the first-order transition leads to a strong enhancemen…
The elastic response of BaTiO$_3$ single crystals during electric field cycling at room temperature has been studied using in-situ Resonant Ultrasound Spectroscopy (RUS), which allows monitoring of both the elastic and anelastic changes caused by ferroelectric polarization switching. We find that the first ferroelectric switching of a virgin single crystal is dominated by ferroelastic 90° switching. In subsequent ferroelectric switching, ferroelastic switching is reduced by domain pinning and by the predominance of 180° ferroelectric domains, as confirmed by polarized light microscopy. RUS und…
By combining single crystal x-ray and neutron diffraction, and the magnetodielectric measurements on single crystal Fe4Nb2O9, we present the magnetic structure and the symmetry-allowed magnetoelectric coupling in Fe4Nb2O9. It undergoes an antiferromagnetic transition at TN=93 K, followed by a displacive transition at TS=70 K. The temperature-dependent dielectric constant of Fe4Nb2O9 is strongly anisotropic with the first anomaly at 93 K due to the exchange striction as a result of the long range spin order, and the second one at 70 K emanating from the structural phase transition primarily dri…
Ferroelectricity in crystals is associated with the displacement of ions or rotations of polar units. Here we consider the dipole created by donor doping ($D^+$) and the corresponding bound polaron ($e^-$).A dipole of 6.15 Debye is predicted, from Berry phase analysis, in the Ruddlesden-Popper phase of ${\rm Sr_3Ti_2O_7}$. A characteristic double-well potential is formed, which persists for high doping densities. The effective Hubbard $U$ interaction can vary the defect state from metallic, a two-dimensional polaron, through to a zero-dimensional polaron. The ferroelectric-like behavior report…
We report the magnetic, heat-capacity, dielectric and magnetodielectric (MDE) behaviour of a Haldane spin-chain compound containing light rare-earth ion, Nd2BaNiO5, in detail, as a function of temperature (T) and magnetic field (H) down to 2 K. In addition to the well-known long range antiferromagnetic order setting in at (T_N=) 48 K as indicated in dc magnetization (M), we have observed another magnetic transition near 10 K; this transition appears to be of a glassy-type which vanishes with a marginal application of external magnetic field (even H= 100 Oe). There are corresponding anomalies i…
We present dielectric measurements of the colossal dielectric constant material CaCu3Ti4O12 extending up to 1.3 GHz also covering so far only rarely investigated single crystalline samples. Special emphasis is put on the second relaxation reported in several works on polycrystals, which we detect also in single crystals. For polycrystalline samples we provide a recipe to achieve values of the dielectric constant as high as in single crystals.
The structure and the dielectric properties of Pb(Zn1/3Nb2/3)O3 (PZN) crystal have been investigated by means of high-resolution synchrotron x-ray diffraction (with an x-ray energy of 32 keV) and dielectric spectroscopy (in the frequency range of 100 Hz - 1 MHz). At high temperatures, the PZN crystal exhibits a cubic symmetry and polar nanoregions inherent to relaxor ferroelectrics are present, as evidenced by the single (222) Bragg peak and by the noticeable tails at the basis of the peak. At low temperatures, in addition to the well-known rhombohedral phase, another low-symmetry, probably fe…
The polycrystalline form of the compound, Tb5Si3, crystallizing in Mn5Si3-type hexagonal structure, which was earlier believe to order antiferromagnetically below 69 K, has been recently reported by us to exhibit interesting magnetoresistance (MR) anomalies. In order to understand the magnetic anomalies of this compound better, we synthesized single crystals of this compound and subjected them to intense magnetization and MR studies. The results reveal that the magnetic behavior is strongly anisotropic as the easy axis is along a basal plane. There appear to be multiple magnetic features in th…
We consider the electromagnetic propagation in two-dimensional photonic crystals, formed by parallel dielectric cylinders embedded a uniform medium. The frequency band structure is computed using the standard plane-wave expansion method, and the corresponding eigne-modes are obtained subsequently. The optical flows of the eigen-modes are calculated by a direct computation approach, and several averaging schemes of the energy current are discussed. The results are compared to those obtained by the usual approach that employs the group velocity calculation. We consider both the case in which the…
High dielectric constant nano composite of Polyaniline (PANI) CaCu3Ti4O12 (CCTO) was synthesized using a simple procedure involving in-situ polymerization of aniline in dil. HCl. The PANI and the composite were subjected to X-ray diffraction, Fourier transform infrared, Thermo gravimetric, Scanning electron microscopy and Transmission electron microscopy analyses. The presence of the nano crystallites of CCTO embedded in the nanofibers of PANI matrix was established by TEM. Frequency dependent characteristics of the dielectric constant, dielectric loss and AC conductivity were studied for the …
A thorough investigation of the dielectric properties of Cu2Ta4O12, a material crystallizing in a pseudo-cubic, perovskite-derived structure is presented. We measured the dielectric constant and conductivity of single crystals in an exceptionally broad frequency range up to GHz frequencies and at temperatures from 25 - 500 K. The detected dielectric constant is unusually high (reaching values up to 105) and almost constant in a broad frequency and temperature range. Cu2Ta4O12 possesses a crystal structure similar to CaCu3Ti4O12, the compound for which such an unusually high dielectric constant…
There is rising interest on low-k dielectric materials based on porous metal-organic frameworks (MOFs) for improved electrical insulation in microelectronics. Herein, we demonstrate the concept of MOF dielectric sensor built from a single crystal of HKUST-1. We study guest encapsulation effects of polar and non-polar molecules, by monitoring the transient dielectric response and AC conductivity of the crystal exposed to different vapors (water, I2, methanol, ethanol). The dielectric properties were measured along the <100> crystal direction in the frequency range of 100 Hz to 2 MHz. The dielec…
One of the most appealing aspects of photonic crystal structures is the photonic bandgap created in structures with sufficiently high dielectric contrasts between constituent materials. Understanding how specific photonic crystal structures and their associated stopband positions can selectively interfere with incoming light is vital for implementing these structured dielectrics in a range of optical applications. Metallo-dielectric photonic crystals act to incorporate metal particles into the ordered arrangement of these structures. We examined copper, nickel and gold metal infiltration into …
We report calculations indicating that amorphous RAO$_3$ oxides, with R and A trivalent cations, have approximately the same static dielectric constant as their perovskite crystal phase. The effect is due to the disorder-activated polar response of non-polar crystal modes at low frequency, which compensates a moderate but appreciable reduction of the ionic dynamical charges. The dielectric response was studied via density-functional perturbation theory. Amorphous samples were generated by molecular dynamics melt-and-quench simulations.
The temperature dependence of the elastic properties of antiferroelectric PbHfO3 was investigated by Brillouin scattering. The two structural phase transitions of antiferroelectric-antiferroelectric-paraelectric phases were clearly identified by discontinuous changes in the acoustic mode frequencies and the hypersonic damping. The substantial softening of the mode frequency along with the remarkable increase in the acoustic damping observed in the paraelectric phase indicated the formation of precursor noncentrosymmetric (polar) clusters and their coupling to the acoustic waves. This was corro…
Since polycrystals of alkali halides are highly useful as components in optical devices, a number of mixed crystals of NaBr and KBr have been prepared from melt by other workers. Among these crystals, it was reported that the polycrystal Na$_{0.4}$K$_{0.6}$Br exhibits the strongest temperature variation of the dielectric constant. Here, we show quantitatively that this is due to the temperature variation of the ionic polarizability.
Previous experimental studies of the thermal conductivity of plastically deformed lead crystals in the superconducting state have shown strong anomalies in the thermal conductivity. Similar effects were also found for the thermal conductivity of bent ${}^4\text{He}$ samples. Until now, a theoretical explanation for these results was missing. In this paper we will introduce the process of phonon-kink scattering and show that it qualitatively explains the anomalies that experiments had found.
We present first-principles many-body calculations of the dielectric constant, quasiparticle band structure, and optical absorption spectrum of monolayer MoS$_2$ using a supercell approach. As the separation between the periodically repeated layers is increased, the dielectric function of the layer develops a strong $q$ dependence around $q=0$. This implies that denser $k$-point grids are required to converge the band gap and exciton binding energies when large supercells are used. In the limit of infinite layer separation, here obtained using a truncated Coulomb interaction, a $45\times45$ $k…
