Effect of Chemical Bonding Characteristics on Ordering Structure in Li Spinel Oxides

2018 ◽  
Vol 29 (2) ◽  
pp. 1805972 ◽  
Author(s):  
Hyewon Ryoo ◽  
Sang-Gil Lee ◽  
Jin-Gyu Kim ◽  
Sung-Yoon Chung
Keyword(s):  
Chemical Bonding ◽  
Spinel Oxides ◽  
Bonding Characteristics

Chemically driven surface effects in polar intermetallic topological insulators A3Bi

2018 ◽  
Vol 20 (41) ◽  
pp. 26372-26385 ◽  
Author(s):  
I. P. Rusinov ◽  
P. Golub ◽  
I. Yu. Sklyadneva ◽  
A. Isaeva ◽  
T. V. Menshchikova ◽  
...  
Keyword(s):  
Alkali Metal ◽  
General Formula ◽  
Chemical Bonding ◽  
Electronic Spectra ◽  
Topological Insulators ◽  
Surface Effects ◽  
Bulk Properties ◽  
Polar Intermetallics ◽  
Bonding Characteristics ◽  
Bonding Patterns

Surface electronic spectra, surface and bulk properties as well as the underlying chemical bonding characteristics in topological insulators with complex bonding patterns are considered for the example of cubic, polar intermetallics KNa2Bi, K3Bi and Rb3Bi (with the general formula A3Bi, A – alkali metal).

Mechanical properties and chemical bonding characteristics of WC and W2C compounds

2014 ◽  
Vol 40 (2) ◽  
pp. 2891-2899 ◽  
Author(s):  
YangZhen Liu ◽  
YeHua Jiang ◽  
Rong Zhou ◽  
Jing Feng
Keyword(s):  
Mechanical Properties ◽  
Chemical Bonding ◽  
Bonding Characteristics

Pressure modulates the phase stability and physical properties of zinc nitride iodine

RSC Advances ◽  
2015 ◽  
Vol 5 (96) ◽  
pp. 78754-78759 ◽  
Author(s):  
Xiaofeng Li ◽  
Lin Xue ◽  
Lijuan Tang ◽  
Ziyu Hu
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Physical Properties ◽  
Density Function ◽  
Phase Stability ◽  
Chemical Bonding ◽  
Metal Nitride ◽  
Electronic And Optical Properties ◽  
Zinc Nitride ◽  
Bonding Characteristics

To explore new stable phases in metal nitride halides, the structural, electronic and optical properties, and chemical bonding characteristics of Zn2NI under pressure were studied on the basis of crystal structure predicting evolution and density function calculations.

Two- and one-dimensional quantum spin Hall states in stanene-functionalized GaTe and InTe matrices

2019 ◽  
Vol 7 (26) ◽  
pp. 7929-7937 ◽  
Author(s):  
T. V. Menshchikova ◽  
I. P. Rusinov ◽  
P. Golub ◽  
I. Yu. Sklyadneva ◽  
R. Heid ◽  
...  
Keyword(s):  
Chemical Bonding ◽  
Electronic Structures ◽  
Van Der Waals ◽  
Quantum Spin ◽  
One Dimensional ◽  
Topological Materials ◽  
Bonding Characteristics ◽  
Hall States ◽  
Quantum Spin Hall

The surface and edge electronic structures as well as underlying chemical bonding characteristics in van der Waals topological materials GaSnTe and InSnTe are studied.

Mechanical properties and chemical bonding characteristics of Cr7C3 type multicomponent carbides

2011 ◽  
Vol 109 (2) ◽  
pp. 023507 ◽  
Author(s):  
B. Xiao ◽  
J. Feng ◽  
C. T. Zhou ◽  
Y. H. Jiang ◽  
R. Zhou
Keyword(s):  
Mechanical Properties ◽  
Chemical Bonding ◽  
Bonding Characteristics

A first-principles study of the diffusion coefficients of alloying elements in dilute α-Ti alloys

2016 ◽  
Vol 18 (25) ◽  
pp. 16870-16881 ◽  
Author(s):  
W. W. Xu ◽  
S. L. Shang ◽  
B. C. Zhou ◽  
Y. Wang ◽  
L. J. Chen ◽  
...  
Keyword(s):  
Chemical Bonding ◽  
First Principles ◽  
Diffusion Coefficients ◽  
Alloying Elements ◽  
Solute Diffusion ◽  
Key Factors ◽  
Comprehensive Investigation ◽  
Ti Alloys ◽  
Vibrational Features ◽  
Bonding Characteristics

We present a comprehensive investigation of the diffusion of alloying elements X in dilute α-Ti alloys. Besides the effect of solute size, two other key factors governing solute diffusion in dilute α-Ti are clarified: the chemical bonding characteristics and vibrational features of X–Ti pairs.

Chemical Bonding Characteristics of Lanthanide Complexes: a Case of Valence Study

2013 ◽  
Vol 634-638 ◽  
pp. 3-6
Author(s):  
Huan Zhang ◽  
Xu Zhang ◽  
Jun Guo Ma
Keyword(s):  
Chemical Bonding ◽  
Lanthanide Complexes ◽  
Bond Valence ◽  
Coordination Numbers ◽  
Organic Complexes ◽  
Novel Approach ◽  
Metal Organic ◽  
The Mean ◽  
Bonding Characteristics ◽  
Linear Correlations

A number of newly Ln-N bond valence parameters were quantitatively estimated, which allowed us to obtain all Ln-N bond lengths with different coordination numbers in metal organic complexes. Twenty linear correlations among the mean bond valence parameters of Ln-O, Ln-N, Ln-S, Ln-Cl and Ln-C bonds of metal organic complexes have been well established and denoted by a set of linearity equations, which provides us a useful method to determine the bond valence parameters of other type Ln-atom bonds in coordination chemistry. The present work shows us a novel approach to deeply understand the chemical bonding characteristics between Ln and the ligands in various metal organic complexes.

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