Defect Control and Defect Engineering of Transition-metal Silicides

2006 ◽  
Vol 980 ◽  
Author(s):  
Haruyuki Inui ◽  
Katsushi Tanaka ◽  
Kyosuke Kishida
Keyword(s):  
Transition Metal ◽  
Thermoelectric Properties ◽  
Valence Electron ◽  
Vacancy Concentration ◽  
Relative Magnitude ◽  
Defect Engineering ◽  
Counting Rule ◽  
Substitutional Element ◽  
Metal Silicides ◽  
Defect Control

AbstractThe microstructure, defect structure and thermoelectric properties of two different semiconducting transition-metal silicides, ReSi1.75 and Ru2Si3 upon alloying with a substitutional element with a valence electron number different from that of the constituent metal have been investigated in order to see if the crystal and defect structures of these silicides and thereby their physical properties can be controlled through defect engineering according to the valence electron counting rule. The Si vacancy concentration and its arrangement can be successfully controlled in ReSi1.75 while the relative magnitude of the metal and silicon subcell dimensions in the chimney-ladder structures can be successfully controlled in Ru2Si3. As a result, the improvement in the thermoelectric properties and the p- to n-type conduction transition are successfully achieved respectively for these semiconducting transition-metal silicides.

Defect Generation in Some Transition-Metal Silicides in Accommodating the Deviation from the Stoichiometric Compositions

2007 ◽  
Vol 561-565 ◽  
pp. 443-446 ◽  
Author(s):  
Haruyuki Inui ◽  
Katsushi Tanaka ◽  
Kyosuke Kishida ◽  
S. Harada
Keyword(s):  
Transition Metal ◽  
Valence Electron ◽  
Vacancy Concentration ◽  
Relative Magnitude ◽  
Defect Structures ◽  
Defect Engineering ◽  
Electron Number ◽  
Counting Rule ◽  
Metal Silicides ◽  
Ternary Alloying

The changes in microstructure and defect structure of two different semiconducting transition-metal silicides, ReSi1.75 and Ru2Si3 with ternary alloying of substitutional elements with a valence electron number different from that of the constituent metal have been investigated in order to see if the crystal and defect structures of these silicides and thereby their physical properties can be controlled through defect engineering according to the valence electron counting rule. The Si vacancy concentration and its arrangement can be successfully controlled in ReSi1.75 while the relative magnitude of the metal and silicon subcell dimensions in the chimney-ladder structures can be successfully controlled in Ru2Si3.

Ferromagnetic Dirac Half-Metallicity in Transition Metal Embedded Honeycomb Borophene

2021 ◽  
Author(s):  
Yanxia Wang ◽  
Xue Jiang ◽  
Yi Wang ◽  
Jijun Zhao
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Valence Electron ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Next Generation ◽  
Half Metallicity ◽  
Counting Rule ◽  
Spintronic Devices ◽  
Electron Counting

Exploring two-dimensional (2D) ferromagnetic materials with intrinsic Dirac half-metallicity is crucial for the development of next-generation spintronic devices. Based on first-principles calculations, here we propose a simple valence electron-counting rule...

scholarly journals Stability and Thermoelectric Properties of Transition-Metal Silicides

2010 ◽  
Vol 40 (5) ◽  
pp. 597-600 ◽  
Author(s):  
R. Viennois ◽  
X. Tao ◽  
P. Jund ◽  
J.-C. Tedenac
Keyword(s):  
Transition Metal ◽  
Thermoelectric Properties ◽  
Metal Silicides

Crystal Structures and Thermoelectric Properties of Ru1-xRexSiy Chimney-Ladder Compounds

2006 ◽  
Vol 980 ◽  
Author(s):  
Akira Ishida ◽  
Norihiko L. Okamoto ◽  
Kyosuke Kishida ◽  
Katsushi Tanaka ◽  
Haruyuki Inui
Keyword(s):  
Crystal Structures ◽  
Thermoelectric Properties ◽  
Valence Electron ◽  
Phase Relationship ◽  
Counting Rule ◽  
Electron Counting ◽  
Wide Compositional Range ◽  
P Type ◽  
Relationship Of ◽  
Semiconducting Behavior

AbstractThe phase relationship of Re-alloyed Ru2Si3 and the variations of the crystal structures and thermoelectric properties of the Ru1-xRexSiy chimney-ladder phases have been studied as a function of the Re concentration. The Ru1-xRexSiy chimney-ladder phases are formed in a wide compositional range. Compositional formula of the chimney-ladder phases are determined to be Ru1-xRexSi1.5386+0.1783x (0.14 ≤ x ≤ 0.76), which are systematically deviated from the idealized composition conforming the valence electron counting rule: VEC=14. Measurements of thermoelectric properties of single crystals with different compositions reveals that the chimney-ladder phases exhibit n-type semiconducting behavior at low Re concentrations and p-type semiconducting behavior at high Re concentrations. These results suggests that the VEC=14 rule can be used for predicting the semiconducting behavior of the chimney-ladder phases through the adjustment of VEC values by substituting elements, producing p-type semiconductors for VEC<14 and n-type for VEC>14, with the carrier concentration related to the deviation from VEC=14.

scholarly journals High-throughput study of the structural stability and thermoelectric properties of transition metal silicides

2013 ◽  
Vol 15 (10) ◽  
pp. 105010 ◽  
Author(s):  
Ingo Opahle ◽  
Alessandro Parma ◽  
Eunan J McEniry ◽  
Ralf Drautz ◽  
Georg K H Madsen
Keyword(s):  
Transition Metal ◽  
Structural Stability ◽  
Thermoelectric Properties ◽  
High Throughput ◽  
Metal Silicides ◽  
High Throughput Study

Defect engineering and characterization of active sites for efficient electrocatalysis

Nanoscale ◽  
2021 ◽  
Vol 13 (6) ◽  
pp. 3327-3345
Author(s):  
Xuecheng Yan ◽  
Linzhou Zhuang ◽  
Zhonghua Zhu ◽  
Xiangdong Yao
Keyword(s):  
Transition Metal ◽  
Active Sites ◽  
Defect Engineering ◽  
Metal Free

This review highlights recent advancements in defect engineering and characterization of both metal-free carbons and transition metal-based electrocatalysts.

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