Search results for "Solid-state physics"
showing 10 items of 112 documents
Average Structure vs. Real Structure: Molecular Dynamics Studies of Silica
2003
The microscopic structure of a crystal and thermal fluctuations of the atoms constituting the crystal are intimately connected with the macroscopic elastic properties including mechanical stability. In some cases, however, the picture is more complex than that which is drawn in text books on solid state physics. (i) The instantaneous microscopic structure can deviate in a non-Gaussian way from the average structure even when domain disorder and/or crystal defects are absent. Quasi harmonic approximations may then turn out to be meaningless. (ii) The crystal is subject to external pressures that are sufficiently large in order to render the definition of elastic constants non unique. These t…
Perovskite CH3NH3PbI3–XClx Solar Cells. Experimental Study of Initial Degradation Kinetics and Fill Factor Spectral Dependence
2021
The main drawback of the methylammonium lead halide perovskite solar cells is their degradation in ambient atmosphere. To investigate ambient-air-induced cell degradation, spec-tral dependencies of open-circuit voltage (VOC), fill factor (FF) and the power conversion effi-ciency (PCE) have been acquired (for the first time reported in literature). Our custom-made measurement system allowed us to perform measurements of the above-mentioned entities in situ directly in vacuum during and after thermal deposition of the elec-trode. We also studied how these parameters in vacuum changed after cell exposure to ambient air for 85 min (50 nm top electrode) and for 180 min (100 nm top Ag electrode).…
Performance of a thermoelectric module based on n-type (La0.12Sr0.88)0.95TiO3-δ and p-type Ca3Co4-xO9+δ
2020
Here, we present the performance of a thermoelectric (TE) module consisting of n-type (La0.12Sr0.88)0.95TiO3 and p-type Ca3Co4-xO9+δ materials. The main challenge in this investigation was operation of TE module in different atmosphere conditions, since n-type has its optimum TE-performance at reducing, while p-type at oxidizing conditions. The TE module was exposed to two different atmospheres and demonstrated higher stability in N2 atmosphere than in air. The maximum electrical power output decreased after 40 h when the hot side was exposed to N2 at 600 °C, while only 1 h at 400 °C in ambient air was enough to oxidize (La0.12Sr0.88)0.95TiO3 followed by a reduced electrical power output. T…
Order-disorder evolution in solid solutions of the NLO material KTiOPO : K Rb TiOPO and K Rb TiOPO in the temperature range 293-973 K
2000
K0.88Rb0.12TiOPO4 and K0.465Rb0.535TiOPO4 solid solutions of the potassium titanyl phosphate (KTiOPO4, space group Pna21) family, are described at 293, 473, 673, 873 and at 973 K. Their high resolution structures are obtained by using accurate single-crystal X-ray diffraction techniques at high resolution, (sin A-1. Large anharmonic motion of alkaline ions increasing with temperature allows the evolution of the rubidium and potassium ions repartition in the two alkaline sites versus temperature. To describe this motion inducing ionic conductivity phenomenon and to determine accurately the order-disorder evolution, two alkaline site refinement models are developed and discussed. A thermodyna…
INFLUENCE OF THE CHEMICAL POTENTIAL ON THE CARRIER EFFECTIVE MASS IN THE THERMOELECTRIC SOLID SOLUTION Cu2Zn1-xFexGeSe4
2013
In this paper, we describe the synthesis and characterization of the solid solution Cu 2 Zn 1-x Fe x GeSe 4. Electronic transport data have been analyzed using a single parabolic band model and have been compared to Cu 2+x Zn 1-x GeSe 4. The effective mass of these undoped, intrinsically hole conducting materials increases linearly with increasing carrier concentration, showing a non-parabolic transport behavior within the valence band.
Band-to-Band and Band-to-Acceptor Photoluminescence Studies in InSe under Pressure
1999
We report on photoluminescence (PL) measurements under pressure on p-type N-doped InSe at 10 K and on n-type Si-doped InSe at room temperature. Low-temperature PL of N-doped InSe is dominated by a band-to-acceptor peak. From the pressure dependence of the ionization energy of the N related shallow acceptor, the pressure change of the hole effective mass is estimated through the Gerlach-Pollmann model for hydrogenic levels in uniaxial crystals and discussed in the framework of a k p model. Room temperature PL in Si-doped InSe is dominated by a band-to-band peak exhibiting a pressure shift in agreement with previous works. This PL peak has been measured up to 7 GPa and a steep reversible decr…
Space Charge and Carrier Trapping Effects on the Transient Photocurrents of Organic Materials Using the Time-of-Flight Technique
2007
We apply the time-of-flight (TOF) technique to study space charge and carrier trapping effects in the organic materials N,N'-diphenyl-N,N'-bis(3- methylphenyl)-1,1-biphenyl-4,4'-diamine (TPD) and tris(8-hydroxyquinolato) aluminum (Alq3). This is carried out by changing the applied electric field, the laser pulse intensity, and the repetition rate together with environmental conditions in air or in vacuum. We report for the first time, to the best of our knowledge, a clearly nondispersive electron transport in TPD due to the absence of deep traps. Conversely, Alq3 exhibits a dispersive electron transport. However, this can be partially recovered by leaving the sample in high vacuum for sever…
High-pressure lattice dynamics in wurtzite and rocksalt indium nitride investigated by means of Raman spectroscopy
2013
We present an experimental and theoretical lattice-dynamical study of InN at high hydrostatic pressures. We perform Raman scattering measurements on five InN epilayers, with different residual strain and free electron concentrations. The experimental results are analyzed in terms of ab initio lattice-dynamical calculations on both wurtzite InN (w-InN) and rocksalt InN (rs-InN) as a function of pressure. Experimental and theoretical pressure coefficients of the optical modes in w-InN are compared, and the role of residual strain on the measured pressure coefficients is analyzed. In the case of the LO band, we analyze and discuss its pressure behavior considering the double-resonance mechanis…
Approximate energy functionals for one-body reduced density matrix functional theory from many-body perturbation theory
2018
We develop a systematic approach to construct energy functionals of the one-particle reduced density matrix (1RDM) for equilibrium systems at finite temperature. The starting point of our formulation is the grand potential $\Omega [\mathbf{G}]$ regarded as variational functional of the Green's function $G$ based on diagrammatic many-body perturbation theory and for which we consider either the Klein or Luttinger-Ward form. By restricting the input Green's function to be one-to-one related to a set on one-particle reduced density matrices (1RDM) this functional becomes a functional of the 1RDM. To establish the one-to-one mapping we use that, at any finite temperature and for a given 1RDM $\…
Transition levels of acceptor impurities in ZnO crystals by DFT-LCAO calculations
2018
This research was partly supported by the Kazakhstan Science Project № AP05134367«Synthesis of nanocrystals in track templates of SiO2/Si for sensory, nano-and optoelectronic applications» and Latvian Super Cluster (LASC), installed in the Institute of Solid State Physics (ISSP) of the University of Latvia. Authors are indebted to D. Gryaznov, A. Popov and A. Dauletbekova for stimulating discussions.