scholarly journals Crystal Structures, Electronic Properties, and Pressure-Induced Superconductivity of the Tetrahedral Cluster Compounds GaNb4S8, GaNb4Se8, and GaTa4Se8.

ChemInform ◽  
2005 ◽  
Vol 36 (40) ◽  
Author(s):  
Regina Pocha ◽  
Dirk Johrendt ◽  
Bingfang Ni ◽  
Mohsen M. Abd-Elmeguid
Keyword(s):  
Electronic Properties ◽  
Crystal Structures ◽  
Cluster Compounds ◽  
Tetrahedral Cluster

scholarly journals Electronic properties and crystal structures of double-perovskites, Ba2BiIIIBiVO6,Ba2PrBiO6, and Ba2PrSbO6: First-principles study

2020 ◽  
Vol 7 (6) ◽  
pp. 065505
Author(s):  
Kazume Nishidate ◽  
Achy Adiko ◽  
Michiaki Matsukawa ◽  
Haruka Taniguchi ◽  
Arisa Sato ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Crystal Structures ◽  
First Principles ◽  
Double Perovskites ◽  
First Principles Study

A new, layered monoclinic phase of Co3O4 at high pressure

2015 ◽  
Vol 17 (30) ◽  
pp. 19957-19961 ◽  
Author(s):  
Thanayut Kaewmaraya ◽  
Wei Luo ◽  
Xiao Yang ◽  
Puspamitra Panigrahi ◽  
Rajeev Ahuja
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Crystal Structures ◽  
Monoclinic Phase

We present the crystal structures and electronic properties of a Co3O4 spinel under high pressure.

Topotactic Intercalation of a Metallic Dense Host Matrix Chalcogenide with Large Electron−Phonon Coupling:  Crystal Structures and Electronic Properties of LixMo2SbS2(0 ≤x< 0.7)

2007 ◽  
Vol 19 (1) ◽  
pp. 69-78 ◽  
Author(s):  
Alexandros Lappas ◽  
Christopher J. Nuttall ◽  
Zacharias G. Fthenakis ◽  
Vladimir Yu. Pomjakushin ◽  
Mark A. Roberts
Keyword(s):  
Electronic Properties ◽  
Crystal Structures ◽  
Phonon Coupling ◽  
Host Matrix ◽  
Electron Phonon Coupling

Anion substitution and influence of sulfur on the crystal structures, phase transitions, and electronic properties of mixed TiO2/TiS2 compounds

2021 ◽  
Vol 77 (5) ◽  
pp. 833-847
Author(s):  
Dušica Jovanović ◽  
Dejan Zagorac ◽  
Branko Matović ◽  
Aleksandra Zarubica ◽  
Jelena Zagorac
Keyword(s):  
Phase Transitions ◽  
Electronic Properties ◽  
Crystal Structures ◽  
Crystal Form ◽  
Structure Type ◽  
Structure Property ◽  
Anion Substitution ◽  
Metastable Structures ◽  
Semiconducting Properties ◽  
Structure Property Relationship

Recent studies of TiO2/TiS2 nanostructures with various morphologies have been reported, usually showing improved properties with applications from electronics and catalysis to solar cells and medicine. However, there is a limited number of studies on the crystal structures of TiO2/TiS2 compounds with corresponding properties. In this research, relevant crystal structures of TiO1–x S x (x = 0, 0.25, 0.5, 0.75 and 1) solid solutions were investigated using an ab initio method. For each composition, crystal structures adopting anatase, rutile and CdI2 structure type were calculated on LDA-PZ and GGA-PBE levels of theory. Novel phase transitions and predicted structures are presented, and apart from several interesting metastable structures, a very interesting pressure-induced phase transition is found in the TiOS compound. Furthermore, electronic properties were studied through the dependence of semiconducting properties on dopant concentration. The first description of the electronic properties of the mixed TiO1–x S x compounds in crystal form has been presented, followed by a detailed study of the structure–property relationship, which will possibly have numerous industrial and technological applications.

Crystal structures and electronic properties of Sn3N4 polymorphs synthesized via high-pressure nitridation of tin

CrystEngComm ◽  
2020 ◽  
Vol 22 (20) ◽  
pp. 3531-3538
Author(s):  
Ken Niwa ◽  
Tomoya Inagaki ◽  
Tetsu Ohsuna ◽  
Zheng Liu ◽  
Takuya Sasaki ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Crystal Structures ◽  
Crystal Chemistry ◽  
Diamond Anvil Cell ◽  
Functional Materials ◽  
Group Iva ◽  
Diamond Anvil ◽  
Laser Heated ◽  
Insight Into

Sn3N4 polymorphs were synthesized via high-pressure nitridation of tin by means of laser-heated diamond anvil cell technique. This implies new insight into the crystal chemistry and functional materials of group IVA nitrides.

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