Single-Crystal X-Ray Diffraction and Electronic Band Structure Studies of PdTeI

1998 ◽  
Vol 137 (2) ◽  
pp. 206-210 ◽  
Author(s):  
D.-K. Seo ◽  
M.-H. Whangbo ◽  
K. Neininger ◽  
G. Thiele
Keyword(s):  
Band Structure ◽  
Single Crystal ◽  
Electronic Band Structure ◽  
X Ray Diffraction ◽  
Electronic Band ◽  
X Ray

Transmissionsoptimierte Einkristallstrukturbestimmung und elektronische Struktur von Bi3Ni / Transmission-Optimized Single-Crystal Structure Determination and Electronic Structure of Bi3Ni

2006 ◽  
Vol 61 (7) ◽  
pp. 785-791 ◽  
Author(s):  
Michael Ruck ◽  
Tilo Söhnel
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Electronic Band Structure ◽  
Structural Fragment ◽  
X Ray Diffraction ◽  
Electronic Band ◽  
Interatomic Distances ◽  
X Ray ◽  
Absorption Correction ◽  
Trigonal Prismatic Coordination

Crystals of Bi3Ni were synthesized using iodine as mineralizer. X-ray diffraction on a single-crystal including transmission-optimized measurement and optimized absorption correction (μ(Mo-Kα) = 1302 cm−1) results in a structure model (Pnma; a = 887.96(7), b = 409.97(3), c = 1147.8(1) pm) with significant deviations in interatomic distances compared with previous data from X-ray and neutron investigations. From quantum chemical calculations and from the structural chemistry of the subhalides related to Bi3Ni the chemical structure of the intermetallic compound can be derived. In the crystal structure the Ni atoms have a capped trigonal prismatic coordination of Bi atoms with strong bonds Ni-Bi and Ni-Ni. The prisms constitute rods 1∞ [NiBi1/1Bi6/3] by sharing the non-capped square faces. The bonding between the intermetallic rods is clearly weaker than inside them, leading to a preservation of this structural fragment in the subhalides of Bi3Ni. In accordance with the low temperature superconductivity of the compound, its electronic band structure shows steep and flat bands at the Fermi level. DFT and ELF calculations reveal a separation of delocalized conduction electrons inside the prism rods and largely localized valence electrons between them.

scholarly journals A soft X-ray spectroscopic perspective of electron localization and transport in tungsten doped bismuth vanadate single crystals

2016 ◽  
Vol 18 (46) ◽  
pp. 31958-31965 ◽  
Author(s):  
Vedran Jovic ◽  
Alexander J. E. Rettie ◽  
Vijay R. Singh ◽  
Jianshi Zhou ◽  
Bethany Lamoureux ◽  
...  
Keyword(s):  
Band Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Electronic Band Structure ◽  
Bismuth Vanadate ◽  
Electron Localization ◽  
Electronic Band ◽  
X Ray

Polarization dependent V L-edge XAS spectra showing anisotropy in the electronic band structure of a W:BiVO4 single crystal.

X-ray diffraction and electronic band structure study of the organic superconductor ϰ-(ET)2Cu[N(CN)2]

1994 ◽  
Vol 234 (3-4) ◽  
pp. 300-306 ◽  
Author(s):  
Arthur J Schultz ◽  
Hau H Wang ◽  
Jack M Williams ◽  
Larry W Finger ◽  
Robert M Hazen ◽  
...  
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Structure Study ◽  
Organic Superconductor ◽  
X Ray Diffraction ◽  
Electronic Band ◽  
X Ray

ChemInform Abstract: Single Crystal Growth, Transport, and Electronic Band Structure of YCoGa5.

ChemInform ◽  
2013 ◽  
Vol 44 (44) ◽  
pp. no-no
Author(s):  
Xiangde Zhu ◽  
Wenjian Lu ◽  
Wei Ning ◽  
Zhe Qu ◽  
Li Li ◽  
...  
Keyword(s):  
Crystal Growth ◽  
Band Structure ◽  
Single Crystal ◽  
Electronic Band Structure ◽  
Single Crystal Growth ◽  
Electronic Band

Electronic band structure and the X-ray photoemission spectrum of UCu5In

2002 ◽  
Vol 82 (18) ◽  
pp. 1893-1906 ◽  
Author(s):  
G. Chelkowska ◽  
J. A. Morkowski ◽  
A. Szajek ◽  
R. Tro
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Photoemission Spectrum ◽  
Electronic Band ◽  
X Ray

Electronic band-structure and optical constants of Pb2GeS4: Ab initio calculations and X-ray spectroscopy experiments

2018 ◽  
Vol 29 (18) ◽  
pp. 16088-16100 ◽  
Author(s):  
Tuan V. Vu ◽  
A. A. Lavrentyev ◽  
B. V. Gabrelian ◽  
L. N. Ananchenko ◽  
O. V. Parasyuk ◽  
...  
Keyword(s):  
Band Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Optical Constants ◽  
Electronic Band Structure ◽  
Electronic Band ◽  
X Ray
Sign in / Sign up

Export Citation Format

Share Document