Molecular beam epitaxial growth of high-quality - ETH E
... only observe minima at even ν, whereas odd values of ν can be observed for higher magnetic fields, depending on g ? of the material. Our previous explanations suggest a density of states (DOS) that is a sum of delta functions, whereas in real systems, the degeneracy of the LLs is partly lifted due t ...
... only observe minima at even ν, whereas odd values of ν can be observed for higher magnetic fields, depending on g ? of the material. Our previous explanations suggest a density of states (DOS) that is a sum of delta functions, whereas in real systems, the degeneracy of the LLs is partly lifted due t ...
Understanding Trends in CO2 Adsorption
... According to the energy diagram shown in Figure 2, we expect that upon CO2 binding the dz2 orbital will shift upward in energy. This is indeed what we observe, as the U-corrected density of states of V-BTT shows in Figure S2 in the SI. We note that the inclusion of a Hubbard U does not significantly ...
... According to the energy diagram shown in Figure 2, we expect that upon CO2 binding the dz2 orbital will shift upward in energy. This is indeed what we observe, as the U-corrected density of states of V-BTT shows in Figure S2 in the SI. We note that the inclusion of a Hubbard U does not significantly ...
university of oslo
... In 1972 Per Kofstad published his "Non-stoichiometry, diffusion and electrical conductivity in binary metal oxides". It has been a popular textbook in defect chemistry of oxides worldwide, not least because it contained a comprehensive review of defect structure and defect-related properties of all ...
... In 1972 Per Kofstad published his "Non-stoichiometry, diffusion and electrical conductivity in binary metal oxides". It has been a popular textbook in defect chemistry of oxides worldwide, not least because it contained a comprehensive review of defect structure and defect-related properties of all ...
Stabilization of Rock Salt ZnO Nanocrystals by Low
... Bulk Energies of Rock Salt and Wurtzite MgxZn1−xO phases. The wurtzite crystal structure has a hexagonal lattice, whereas the conventional unit cells of the rock salt and zinc blende (ZB) crystal structures are cubic. In DFT calculations, comparing results obtained with different lattices can introdu ...
... Bulk Energies of Rock Salt and Wurtzite MgxZn1−xO phases. The wurtzite crystal structure has a hexagonal lattice, whereas the conventional unit cells of the rock salt and zinc blende (ZB) crystal structures are cubic. In DFT calculations, comparing results obtained with different lattices can introdu ...
Complex defects
... Along with the discovery of many new uses of oxides, as well as improved computer resources for handling more complex tasks, the field has changed focus from binary oxides towards ternary or higher oxides. This is not least due to the growing awareness that perovskites and related structures tolerat ...
... Along with the discovery of many new uses of oxides, as well as improved computer resources for handling more complex tasks, the field has changed focus from binary oxides towards ternary or higher oxides. This is not least due to the growing awareness that perovskites and related structures tolerat ...
CHAPTER 5 OTHER JUNCTIONS IN SEMICONDUCTORS
... Earlier, we have called materials with large bandgaps insulators. Usually these materials don’t have high crystalline quality and are difficult to dope. These materials have very high resistivity and are used to isolate regions to prevent current flow. ...
... Earlier, we have called materials with large bandgaps insulators. Usually these materials don’t have high crystalline quality and are difficult to dope. These materials have very high resistivity and are used to isolate regions to prevent current flow. ...
ElaStic: A universal tool for calculating elastic constants from first
... This tool also provides the elastic compliances tensor and applies the Voigt and Reuss averaging procedure in order to obtain an evaluation of the bulk, shear, and Young moduli as well as the Poisson ratio of poly-crystalline samples. In a first step, the spacegroup is determined. Then, a set of def ...
... This tool also provides the elastic compliances tensor and applies the Voigt and Reuss averaging procedure in order to obtain an evaluation of the bulk, shear, and Young moduli as well as the Poisson ratio of poly-crystalline samples. In a first step, the spacegroup is determined. Then, a set of def ...
5.1 Ni Redox Potential in Different Compounds
... with different cationic substitution in LiNi1/3TM11/3TM21/3O2 or LiNi1/2TM21/2O2 systems, where TM1 is a 3+ transition metal (Co3+, Al3+, Fe3+ etc.) and TM2 is a 4+ transition metal (Ti4+, Zr4+, Mn4+ etc.). In this chapter, the changes and trends in the nickel redox potentials are systematically com ...
... with different cationic substitution in LiNi1/3TM11/3TM21/3O2 or LiNi1/2TM21/2O2 systems, where TM1 is a 3+ transition metal (Co3+, Al3+, Fe3+ etc.) and TM2 is a 4+ transition metal (Ti4+, Zr4+, Mn4+ etc.). In this chapter, the changes and trends in the nickel redox potentials are systematically com ...
as PDF
... factors: the way in which atoms arrange themselves to give rise to the crystal structure, and the movement of both electrons and atoms within this structure. Many physical parameters, such as the transport properties, strongly depend on the dynamical behavior of both electrons and atoms. Besides, th ...
... factors: the way in which atoms arrange themselves to give rise to the crystal structure, and the movement of both electrons and atoms within this structure. Many physical parameters, such as the transport properties, strongly depend on the dynamical behavior of both electrons and atoms. Besides, th ...
Grains and grain boundaries in highly crystalline monolayer
... either odd- or even-membered rings can form grain boundaries depending on the tilt angle and stoichiometry, among several factors39 . For comparison, graphene’s tilt boundaries are most commonly formed by 5- and 7-membered rings2,40 , whereas twin boundaries have been observed with 8-5-5 motifs4 . O ...
... either odd- or even-membered rings can form grain boundaries depending on the tilt angle and stoichiometry, among several factors39 . For comparison, graphene’s tilt boundaries are most commonly formed by 5- and 7-membered rings2,40 , whereas twin boundaries have been observed with 8-5-5 motifs4 . O ...
Theoretical modelling of steps on the CaF2(111) surface
... between the infinite crystal and the slab has to be taken into account. For the representation in figure 2 we shifted the bulk DOS in energy so that it matches the DOS of the deepest layer in the slab which has electronic properties very close to those of the bulk. The px , py , and pz components of ...
... between the infinite crystal and the slab has to be taken into account. For the representation in figure 2 we shifted the bulk DOS in energy so that it matches the DOS of the deepest layer in the slab which has electronic properties very close to those of the bulk. The px , py , and pz components of ...
Graphene: carbon in two dimensions
... retention of the structure of the elementary cell, that is, the existence ...
... retention of the structure of the elementary cell, that is, the existence ...
KJM-MENA 3120 Structure and properties of functional materials
... in liquid or gaseous states. In some cases studies of the electric properties and reactivity of a compound may provide key data for entangling riddles on how atoms are connected. This is for instance the case for compounds that are semiconducting and are supposed to follow the regular rules for 2e-c ...
... in liquid or gaseous states. In some cases studies of the electric properties and reactivity of a compound may provide key data for entangling riddles on how atoms are connected. This is for instance the case for compounds that are semiconducting and are supposed to follow the regular rules for 2e-c ...
Oxide Thermoelectric Materials for Heat-to
... the carrier mobility. ZnO-based thermoelectric materials can be one of the examples of this strategy 36-40)。 Zinc oxide is a wide band gap semiconductor with a direct band gap of 3.2 – 3.5 eV. Zinc has relatively large electronegativity as a metal, resulting in the less polarized Zn–O bond compared ...
... the carrier mobility. ZnO-based thermoelectric materials can be one of the examples of this strategy 36-40)。 Zinc oxide is a wide band gap semiconductor with a direct band gap of 3.2 – 3.5 eV. Zinc has relatively large electronegativity as a metal, resulting in the less polarized Zn–O bond compared ...
M F L OLDING THE
... to localized photonic states in the gap, whose shapes and properties would be dictated by the defect’s nature. Moreover, a significant and attractive difference between photonic crystals and electronic semiconductor crystals is the former’s inherent ability to provide complete tunability. A defect in ...
... to localized photonic states in the gap, whose shapes and properties would be dictated by the defect’s nature. Moreover, a significant and attractive difference between photonic crystals and electronic semiconductor crystals is the former’s inherent ability to provide complete tunability. A defect in ...
Calculation of short range order in Ni–Rh, Ni–Pd and Cu–Rh alloys
... of attraction or repulsion operating between them, all real solid solutions probably exhibit either short range order or clusters to a greater and lesser degree [3]. The presence of SRO may be decided based on the value of the Warren–Cowley parameter αi: • αi < 0 for SRO, • αi > 0 for clustering or ...
... of attraction or repulsion operating between them, all real solid solutions probably exhibit either short range order or clusters to a greater and lesser degree [3]. The presence of SRO may be decided based on the value of the Warren–Cowley parameter αi: • αi < 0 for SRO, • αi > 0 for clustering or ...
Obtaining structural information from the atomic pair
... changed by a random amount, and then the model PDF and the goodness-of-fit parameter c2 are recalculated. The change Dc2 of the goodness-of-fit c2 before and after the generated move is computed. Every move which improves the fit (Dc2 < 0) is accepted. ‘Bad’ moves worsening the agreement between the ...
... changed by a random amount, and then the model PDF and the goodness-of-fit parameter c2 are recalculated. The change Dc2 of the goodness-of-fit c2 before and after the generated move is computed. Every move which improves the fit (Dc2 < 0) is accepted. ‘Bad’ moves worsening the agreement between the ...
structure determination from powder diffraction data–challenging
... shorting so that only lithium ions can move back and forth. When the battery is discharging, the Li ions move through the electrolyte towards the cathode and intercalates into the open structure material. The electrons move towards the cathode though the load (upper half of the circuit) and are abso ...
... shorting so that only lithium ions can move back and forth. When the battery is discharging, the Li ions move through the electrolyte towards the cathode and intercalates into the open structure material. The electrons move towards the cathode though the load (upper half of the circuit) and are abso ...
4 Constitutive Equations
... function to be a convex potential. However, non-convex energy functions are encountered in many applications such as phase transitions in shape memory alloys [Bha03, RC05], in phase field theory (see Section ??) and, in particular, in dissipative materials under finite deformations. Non-convex poten ...
... function to be a convex potential. However, non-convex energy functions are encountered in many applications such as phase transitions in shape memory alloys [Bha03, RC05], in phase field theory (see Section ??) and, in particular, in dissipative materials under finite deformations. Non-convex poten ...
J. Phys. Chem. C - Photochemical Dynamics Group
... Cuprous oxide (Cu2O) is one of the few oxides that naturally shows p-type conductivity1−3 and is attractive for solar energy conversion thanks to its direct band gap of 2 eV, which upon integration of the AM1.5 spectrum would correspond to a theoretical photocurrent of 14.7 mA cm−2. In recent years, ...
... Cuprous oxide (Cu2O) is one of the few oxides that naturally shows p-type conductivity1−3 and is attractive for solar energy conversion thanks to its direct band gap of 2 eV, which upon integration of the AM1.5 spectrum would correspond to a theoretical photocurrent of 14.7 mA cm−2. In recent years, ...
Unusual bismuth-containing surface layers of III-V compound
... studies of exotic behavior of quantized electronic states and charge transport, such structures could be used, for example, as interconnections in nanoelectronics [13,14]. Dierent nanowires have been extensively studied on silicon with some remarkable results [1317]. In contrast, only a few studie ...
... studies of exotic behavior of quantized electronic states and charge transport, such structures could be used, for example, as interconnections in nanoelectronics [13,14]. Dierent nanowires have been extensively studied on silicon with some remarkable results [1317]. In contrast, only a few studie ...
Electron velocities in bismuth and antimony
... Many studies have been made of the energy spectrum of carriers in bismuth and antimony. The most detailed information has been obtained by means of the de Haasvan Alphen effect,(1-4] cyclotron resonance,[S,6] radiofrequency size effectp] and magnetoacoustic measurements .[8-10] Data from these inves ...
... Many studies have been made of the energy spectrum of carriers in bismuth and antimony. The most detailed information has been obtained by means of the de Haasvan Alphen effect,(1-4] cyclotron resonance,[S,6] radiofrequency size effectp] and magnetoacoustic measurements .[8-10] Data from these inves ...
Ferroelectrics from first principles Designing ferroelectrics
... ferroelectricity has been theoretically predicted in ordered perovskites and the Ruddlesden–Popper compounds (Ca3 Ti2 O7 , Ca3 Mn2 O7 and (Ca/Sr/Ba)3 (Sn/Zr/Ge)2 O7 ). However, the ferroelectricity of these compounds has never been experimentally confirmed and even their polar nature has been under ...
... ferroelectricity has been theoretically predicted in ordered perovskites and the Ruddlesden–Popper compounds (Ca3 Ti2 O7 , Ca3 Mn2 O7 and (Ca/Sr/Ba)3 (Sn/Zr/Ge)2 O7 ). However, the ferroelectricity of these compounds has never been experimentally confirmed and even their polar nature has been under ...
Module 10 Crystal Defects in Metals I Lecture 10 Crystal
... atoms are arranged in metals. In this module we shall learn about the nature of such defects in metal and their effects on its deformation behavior. Defects found in metals can be classified as point defect, line defect and surface defect. Point defect As the name suggests the size of the defec ...
... atoms are arranged in metals. In this module we shall learn about the nature of such defects in metal and their effects on its deformation behavior. Defects found in metals can be classified as point defect, line defect and surface defect. Point defect As the name suggests the size of the defec ...
