-
Article
Open AccessNon-centrosymmetric superconductor Th \(_4\) Be \(_{{33}}\) Pt \(_{{16}}\) and heavy-fermion U \(_4\) Be \(_{{33}}\) Pt \(_{{16}}\) cage compounds
Unconventional superconductivity in non-centrosymmetric superconductors has attracted a considerable amount of attention. While several lanthanide-based materials have been reported previously, the number of a...
-
Chapter
Chemical Bonding in MgAgAs-Type Compounds
The chemical bonding in MgAgAs-type compounds of the main-group elements is analyzed with the aid of quantum chemical direct-space techniques. These phases show a variety of different bonding patterns from hig...
-
Article
Substitution Solid Solutions FeGa3−x E x and Their Thermoelectric Properties
In this study we performed substitution experiments on the gallium site of the intermetallic semiconductor FeGa3, to adjust the charge carrier concentration, and determined the thermoelectric (TE) properties of t...
-
Article
Al13Fe4 as a low-cost alternative for palladium in heterogeneous hydrogenation
Replacing noble metals in heterogeneous catalysts by low-cost and ubiquitous substitutes such as iron is highly desirable especially because it does not bear potential health risks. A low cost and environmenta...
-
Article
Triple immiscibility in the Pb(+Ru)-Zn(+Sn) system
During the use of new technology, the formation of a third intermediate layer in the Pb(+Ru)-Zn(+Sn) system is observed in a binary immiscibility gap system. This layer contains all the components of the syste...
-
Article
Chemical bonding descriptors based on electron density inhomogeneity measure: a comparison with ELI-D
The electron localizability indicator (ELI-D) is suitable to describe certain aspects of the bonding situation of molecules and solids. ELI-D is based on integrals of electron pair density over very small regi...
-
Article
RuIn3-xSnx, RuIn3-xZnx, and Ru1-yIn3—new thermoelectrics based on the semiconductor RuIn3
A systematic investigation of the intermetallic phase Ru1-yIn3 (0 ≤ y ≤ 0.025) and its substitution derivatives RuIn3-xSnx and RuIn3-xZnx (x = 0.01, 0.025, 0.05, and 0.1) is performed. The samples were prepared f...
-
Article
Open AccessBa x Pd4Sn y Sb12−y : A New Palladium-Containing Skutterudite
A new compound with the filled-skutterudite structure, Ba x Pd4Sn y Sb12−y , was prepared by the flux growth and spark p...
-
Article
Open AccessPhysical Properties of Single-Crystalline Ba8Ni3.5Ge42.1□0.4
Clathrates are candidate materials for thermoelectric applications because of a number of unique properties. The clathrate I phases in the Ba-Ni-Ge ternary system allow controlled variation of the charge carri...
-
Article
Open AccessThermoelectric Properties of the Clathrate I Ba8Ge43□3
The clathrate I Ba8Ge43□3 [space group \( Ia\bar{3}d \) , no. 230, a = 21.307(1) Å] has been synthesized as a single phase and c...
-
Article
Open AccessThe physicochemical features of binary immiscible metal systems in a new method of synthesis and crystallization
Features of the structure of phase diagrams of immiscible binary metal systems for synthesis and crystallization of various compounds by a new method are considered: temperature and concentration limits of imm...
-
Article
Open AccessSynthesis, Crystal Structure, and Transport Properties of Na22Si136
The type II clathrate Na22Si136 is prepared by the thermal decomposition of NaSi. Thermal analysis indicates this phase is metastable yet has a relatively high decomposition temperature. Rietveld analysis indicat...
-
Article
Chemical Bonding in Laves Phases Revisited: Atom Volumina in Cs-K System
Laves phases comprise a large group of binary and ternary intermetallic compounds with general composition AB2. The crystal structures of Laves phases are often regarded as closest packing of differently sized sp...
-
Chapter and Conference Paper
Skutterudites, a thermoelectric material investigated by high field Mössbauer spectroscopy
The partly filled skutterudites A x Fe4Sb12 (A = La, Pr, Nd, Eu, Yb, and the monovalent homologue Tl) were investigated at 4.2 K by 57Fe Mössbauer spectroscopy in external fields up to 1...
-
Article
Open AccessElectron localizability indicator for correlated wavefunctions. III: singlet and triplet pairs
The electron pair density can be decomposed into the symmetric and antisymmetric parts. The antisymmetric component is connected with the probability that two electrons are coupled to a triplet. On the basis o...
-
Article
Open AccessNew scandium rhodium boride Sc4Rh17B12 with a framework structure: synthesis, crystal structure, and properties
The new scandium rhodium boride Sc4Rh17B12 was synthesized by arc-melting of the elements followed by annealing in inert atmosphere. The crystal structure of Sc4Rh17B12 was solved using single crystal X-ray diffr...
-
Article
Open AccessSkutterudites, a thermoelectric material investigated by high field Mössbauer spectroscopy
The partly filled skutterudites A x Fe4Sb12 (A = La, Pr, Nd, Eu, Yb, and the monovalent homologue Tl) were investigated at 4.2 K by 57Fe Mössbauer spectroscopy in external fields...
-
Article
Optical investigations of the clathrate α-Eu8Ga16Ge30
We performed measurements of the optical reflectivity in the energy range 0.007–30 eV on the clathrate-VIII type compound α-Eu8Ga16- xGe30 x in order to investigate its electronic band structure. The very low c...
-
Article
Electron spin resonance of Eu2 + in the Eu doped clathrate Ba6Ge25
We report electron spin resonance (ESR) investigations of the clathrate compound Ba6-xEuxGe25 (x=0.03–0.4) which exhibits a temperature induced, two-step reconstructive structure transformation at temperatures be...
-
Article
Electron localizability indicator for correlated wavefunctions. II Antiparallel-spin pairs
The electron localizability indicator for anti parallel-spin pairs is closely associated with the correlation of the motion of opposite-spin electrons. At the Hartree–Fock level this functional is constant thr...
