scholarly journals R14(Au, M)51(R = Y, La–Nd, Sm–Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi): Stability Ranges and Site Preference in the Gd14Ag51Structure Type

2018 ◽  
Vol 18 (2) ◽  
pp. 993-1001 ◽  
Author(s):  
Chris Celania ◽  
Volodymyr Smetana ◽  
Alessia Provino ◽  
Pietro Manfrinetti ◽  
Anja-Verena Mudring
Keyword(s):  
Site Preference ◽  
Stability Ranges

Site preference and atomic ordering in the ternary Rh5Ga2As: first-principles calculations

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Nilanjan Roy ◽  
Sucharita Giri ◽  
Harshit ◽  
Partha P. Jana
Keyword(s):  
Total Energy ◽  
First Principles ◽  
Density Functional ◽  
Structure Type ◽  
Site Preference ◽  
X Ray Diffraction ◽  
Atomic Ordering ◽  
Functional Theory ◽  
The Stability ◽  
Bonding Characteristics

Abstract The site preference and atomic ordering of the ternary Rh5Ga2As have been investigated using first-principles density functional theory (DFT). An interesting atomic ordering of two neighboring elements Ga and As reported in the structure of Rh5Ga2As by X-ray diffraction data only is confirmed by first-principles total-energy calculations. The previously reported experimental model with Ga/As ordering is indeed the most stable in the structure of Rh5Ga2As. The calculation detected that there is an obvious trend concerning the influence of the heteroatomic Rh–Ga/As contacts on the calculated total energy. Interestingly, the orderly distribution of As and Ga that is found in the binary GaAs (Zinc-blende structure type), retained to ternary Rh5Ga2As. The density of states (DOS) and Crystal Orbital Hamiltonian Population (COHP) are calculated to enlighten the stability and bonding characteristics in the structure of Rh5Ga2As. The bonding analysis also confirms that Rh–Ga/As short contacts are the major driving force towards the overall stability of the compound.

Site preference and the optical thermometry strategy by different temperature response from two sites environment of Mn2+ in K7ZnSc2B15O30

2021 ◽  
Vol 409 ◽  
pp. 128190
Author(s):  
Ying Fu ◽  
Chao Li ◽  
Feng Zhang ◽  
Shixiang Huang ◽  
Zhangyue Wu ◽  
...  
Keyword(s):  
Temperature Response ◽  
Site Preference ◽  
Optical Thermometry

Site preference of Y and Mn in nonstoichiometric BaTiO3 from first principles

2020 ◽  
Vol 4 (8) ◽  
Author(s):  
Preston C. Bowes ◽  
Jonathon N. Baker ◽  
Douglas L. Irving
Keyword(s):  
First Principles ◽  
Site Preference

Germanium-Regulated Adsorption Site Preference on Ruthenium Electrocatalyst for Efficient Hydrogen Evolution

2021 ◽  
Author(s):  
Meihong Fan ◽  
Bo Zhang ◽  
Lina Wang ◽  
Zhenyu Li ◽  
Xiao Liang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Adsorption Site ◽  
Site Preference ◽  
Magnesiothermic Reduction ◽  
Phase Pure

A magnesiothermic reduction route has been presented to synthesize phase-pure germanides that are not readily available traditionally. The obtained ruthenium germanide (RuGe) serves as an efficient non-Pt electrocatalyst for hydrogen...

scholarly journals Influences of Histone Stoichiometry on the Target Site Preference of Retrotransposons Ty1 and Ty2 in Saccharomyces cerevisiae

Genetics ◽  
1996 ◽  
Vol 142 (3) ◽  
pp. 761-776 ◽  
Author(s):  
Lori A Rinckel ◽  
David J Garfinkel
Keyword(s):  
Saccharomyces Cerevisiae ◽  
Promoter Region ◽  
Target Site ◽  
Site Preference ◽  
Wild Type ◽  
Histone Proteins ◽  
Protein Levels ◽  
In The Wild ◽  
Type Strains ◽  
Orientation Bias

Abstract In Saccharomyces cerevisiae, the target site specificity of the retrotransposon Ty1 appears to involve the Ty integration complex recognizing chromatin structures. To determine whether changes in chromatin structure affect Ty1 and Ty2 target site preference, we analyzed Ty transposition at the CAN1 locus in mutants containing altered levels of histone proteins. A Δhta1-htb1 mutant with decreased levels of H2A and H2B histone proteins showed a pattern of Ty1 and Ty2 insertions at CAN1 that was significantly different from that of both the wild-type and a Δhta2-htb2 mutant, which does not have altered histone protein levels. Altered levels of H2A and H2B proteins disrupted a dramatic orientation bias in the CAN1 promoter region. In the wild-type strains, few Ty1 and Ty2 insertions in the promoter region were oriented opposite to the direction of CAN1 transcription. In the Δhta1-htb1 background, however, numerous Ty1 and Ty2 insertions were in the opposite orientation clustered within the TATA region. This altered insertion pattern does not appear to be due to a bias caused by selecting canavanine resistant isolates in the different HTA1-HTB1 backgrounds. Our results suggest that reduced levels of histone proteins alter Ty target site preference and disrupt an asymmetric Ty insertion pattern.

scholarly journals Engineering Band Structure via the Site Preference of Pb2+ in the In+ Site for Enhanced Thermoelectric Performance of In6Se7

2016 ◽  
Vol 8 (35) ◽  
pp. 23175-23180 ◽  
Author(s):  
Jiaolin Cui ◽  
Min Cheng ◽  
Wenchang Wu ◽  
Zhengliang Du ◽  
Yimin Chao
Keyword(s):  
Band Structure ◽  
Thermoelectric Performance ◽  
Site Preference

Mössbauer study of the site preference for Fe substitutions in some YBa2Cu3O7-ycompounds

1991 ◽  
Vol 44 (1) ◽  
pp. 71-73 ◽  
Author(s):  
Agneta Seidel ◽  
Lennart Häggström ◽  
Pan Min ◽  
Sten Eriksson ◽  
Lars-Gunnar Johansson
Keyword(s):  
Site Preference ◽  
Mössbauer Study
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