Crystal structures, electrical conductivity and band-structure calculations of three new [cation][Ni(C3S5)2]2compounds

1992 ◽  
pp. 2911-2921 ◽  
Author(s):  
Joost P. Cornelissen ◽  
Richard Le Loux ◽  
Jacob Jansen ◽  
Jaap G. Haasnoot ◽  
Jan Reedijk ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Band Structure ◽  
Crystal Structures ◽  
Band Structure Calculations ◽  
Structure Calculations

Investigation on crystal structures, optical properties, and band structure calculations of In2-xMxTeO6 (M = Ga, Bi, La)

2017 ◽  
Vol 702 ◽  
pp. 601-610
Author(s):  
Arreerat Jiamprasertboon ◽  
Thanundon Kongnok ◽  
Sirichok Jungthawan ◽  
Pinit Kidkhunthod ◽  
Narong Chanlek ◽  
...  
Keyword(s):  
Optical Properties ◽  
Band Structure ◽  
Crystal Structures ◽  
Band Structure Calculations ◽  
Structure Calculations

Präparation und Kristallstrukturen von Rb8In11, K8Tl11 und Rb8Tl11sowie Bandstrukturrechnungen zu K8In11 / Preparation and Crystal Structures of Rb8In11, K8Tl11, and Rb8Tl11 Band Structure Calculations on K8In11

1993 ◽  
Vol 48 (6) ◽  
pp. 754-760 ◽  
Author(s):  
Wolfgang Blase ◽  
Gerhard Cordier ◽  
Volker Müller ◽  
Ulrich Häußermann ◽  
Reinhard Nesper ◽  
...  
Keyword(s):  
Band Structure ◽  
Single Crystal ◽  
Crystal Structures ◽  
Excess Electron ◽  
X Ray Diffraction ◽  
X Ray ◽  
Band Structure Calculations ◽  
Structure Calculations ◽  
Trigonal Prisms

The isotypic compounds K8In11, Rb8In11, K8Tl11, and Rb8Tl11 were prepared from the elements. The crystal structures were determined by single crystal X-ray diffraction methods. (K8In11: a = 1002.1(3), c = 5089.1(8) pm; Rb8In11: a = 1030.1(3), c = 5236.7(7) pm; Κ8Τl11: a = 999.1(3), c = 5084.8(7) pm; Rb8Tl11: a = 1028.0(3), c = 5230.5(7) pm, R3̄c, Z = 6). The crystal structures contain In11- and Tl11-clusters, respectively, of pentacapped trigonal prisms. Band structure calculations on K8In11 confirm an [In11]7-“anion”, with one excess electron per In11-cluster involved in alkalimetal-earthmetal bonding.

ChemInform Abstract: Preparation and Crystal Structures of Rb8In11, K8Tl11, and Rb8Tl11 and Band Structure Calculations on K8In11.

ChemInform ◽  
2010 ◽  
Vol 24 (37) ◽  
pp. no-no
Author(s):  
W. BLASE ◽  
G. CORDIER ◽  
V. MUELLER ◽  
U. HAEUSSERMANN ◽  
R. NESPER ◽  
...  
Keyword(s):  
Band Structure ◽  
Crystal Structures ◽  
Band Structure Calculations ◽  
Structure Calculations

Kristallstrukturen und elektronische Eigenschaften von Ge1/3NbS2 und Ge1/4NbS2 / Crystal Structures and Electronic Properties of Ge1/3NbS2 and Ge1/4NbS2

2002 ◽  
Vol 57 (12) ◽  
pp. 1367-1374 ◽  
Author(s):  
Regina Pocha ◽  
Dirk Johrendt
Keyword(s):  
Band Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Crystal Structures ◽  
Chemical Transport ◽  
X Ray ◽  
Metal Bonding ◽  
Band Structure Calculations ◽  
Metal Metal ◽  
Structure Calculations

Single crystals of the intercalation compounds Ge1/3NbS2 andGe1/4NbS2 have been prepared by heating of the elements at 1073 K and by chemical transport with iodine at 923 to 1073 K. Their crystal structures were determined by single crystal X-ray methods.Ge1/3NbS2 (P63/mcm, a=5.767(1), c=13.518(3) Å, Z = 6) crystallizes with a superstructureof 2H-NbS2, characterized by layers of edge-sharing NbS6 trigonal prisms. The Ge atoms in the octahedral voids of the van der Waals gap are sixfold coordinated by sulfur. The NbS2-sublattice of Ge1/4NbS2 (P63/mmc, a = 3.339(1), c = 37.326(7) Å , Z = 6) represents a new 6H-polymorph. Herein, the Ge atoms are located either in the centers of the octahedral voids (c. n. = 6) or shifted from this position along [001] (c. n. = 3 + 3). The unusual electronic state and the bonding situation of germanium in the van der Waal gaps of NbS2 and the metal-metal bonding are studied in detail by using DFT band structure calculations.

scholarly journals Fermi surface of the skutterudite CoSb3 : Quantum oscillations and band-structure calculations

2021 ◽  
Vol 103 (8) ◽  
Author(s):  
M. Naumann ◽  
P. Mokhtari ◽  
Z. Medvecka ◽  
F. Arnold ◽  
M. Pillaca ◽  
...  
Keyword(s):  
Band Structure ◽  
Fermi Surface ◽  
Quantum Oscillations ◽  
Band Structure Calculations ◽  
Structure Calculations

Extrinsic photonic band structure calculations of a doped semiconductor under an external magnetic field

2008 ◽  
Vol 372 (31) ◽  
pp. 5224-5228 ◽  
Author(s):  
Renlong Zhou ◽  
Xuewen Wang ◽  
Bingju Zhou ◽  
Yongyi Gao ◽  
Xiaojuan Liu ◽  
...  
Keyword(s):  
Magnetic Field ◽  
External Magnetic Field ◽  
Band Structure ◽  
Photonic Band Structure ◽  
Band Structure Calculations ◽  
Photonic Band ◽  
Structure Calculations
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