scholarly journals Different routes to pressure-induced volume collapse transitions in gadolinium and terbium metals

2013 ◽  
Vol 88 (24) ◽  
Author(s):  
G. Fabbris ◽  
T. Matsuoka ◽  
J. Lim ◽  
J. R. L. Mardegan ◽  
K. Shimizu ◽  
...  
Keyword(s):  
Volume Collapse ◽  
Collapse Transitions

scholarly journals Thermodynamics of volume-collapse transitions in cerium and related compounds

2005 ◽  
Vol 53 (19) ◽  
pp. 5183-5188 ◽  
Author(s):  
S. Bustingorry ◽  
E.A. Jagla ◽  
J. Lorenzana
Keyword(s):  
Volume Collapse ◽  
Collapse Transitions ◽  
Related Compounds

STRUCTURAL TRANSITIONS OF BiI3 UNDER PRESSURE

2012 ◽  
Vol 26 (32) ◽  
pp. 1250217
Author(s):  
XIAO-XIAO SUN ◽  
ZHI-RU REN ◽  
DAO-GUANG WANG
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Structural Transition ◽  
High Pressures ◽  
Functional Theory ◽  
High Pressure Studies ◽  
Volume Collapse ◽  
Pseudopotential Calculations ◽  
Structural And Electronic Properties ◽  
Pnma Phase

High pressure studies of BiI 3 at 0 K are performed using first-principles pseudopotential calculations within the framework of density functional theory. The calculations indicate that BiI 3 undergoes a structural transition from rhombohedral R-3 phase to monoclinic P2 1/c phase at 7 GPa which is accompanied by a 5.8% volume collapse. In addition, we find that P2 1/c phase prevails about 60 GPa range and transforms to cubic Fm-3m phase at 68 GPa, and finally takes the orthorhombic Pnma phase at high pressures up to 133 GPa. The structural and electronic properties of four competitive structures are also calculated. The analysis of density of states reveals that BiI 3 has semiconductor-metal transition at about 61 GPa, which also demonstrates the metallic nature of both Fm-3m and Pnma phases.

scholarly journals Nanobelts-constructed Porous TiO2-B@SnS2 Heterostructure Hybrids for Enhance Lithium Storage Performance

2021 ◽  
Author(s):  
Chao Cai ◽  
Meiyu Song ◽  
Qixiang Ou ◽  
Jianmei Li ◽  
changsheng an
Keyword(s):  
Active Sites ◽  
Electrode Materials ◽  
Theoretical Calculations ◽  
Electronic Conductivity ◽  
Lithium Ion ◽  
Cycle Performance ◽  
Electrode Structure ◽  
Lithium Storage ◽  
Volume Collapse ◽  
Alloy Type

Abstract Alloy-type anodes materials possess broad prospects for excellent electrochemical property lithium-ion batteries owing to its high theoretical capacity and excellent electronic conductivity. However, this type electrode materials experience poor kinetics and tremendous volume collapse during the repeated lithiation-delithiation process. Herein, an efficient method to provide a fast transmission channel and suppress the volume collapse during the discharge/charge process by constructing the heterostructure between porous TiO2-B nanoblets and few-layer SnS2 nanosheets interface, which provides high-active sites for the nucleation and growth of SnS2 nanosheets, and inhibits the agglomeration of SnS2 nanosheets. Both experimental results and theoretical calculations definite that porous TiO2 nanobelts provides more chemical active sites for the adsorption and transmission of lithium ion and then effectively improve the stability the electrode structure. As a result, TiO2-B@SnS2 hybrid exhibits excellent rate and cycle performance. This work paves a way to design and construction of high performance alloy-type anode materials.

scholarly journals Sequence Randomness and Polymer Collapse Transitions

1999 ◽  
Vol 83 (1) ◽  
pp. 112-115 ◽  
Author(s):  
Pietro Monari ◽  
Attilio L. Stella ◽  
Carlo Vanderzande ◽  
Enzo Orlandini
Keyword(s):  
Polymer Collapse ◽  
Collapse Transitions

Morphology and Collapse Transitions in Binary Phospholipid Monolayers

2001 ◽  
Vol 105 (42) ◽  
pp. 10348-10354 ◽  
Author(s):  
Ajaykumar Gopal ◽  
Ka Yee C. Lee
Keyword(s):  
Phospholipid Monolayers ◽  
Collapse Transitions

Structural Analysis of Rare Earth Compound with NaCl-Structure

2016 ◽  
Vol 28 ◽  
pp. 53-58
Author(s):  
Purvee Bhardwaj ◽  
Sadhna Singh
Keyword(s):  
Rare Earth ◽  
Structural Properties ◽  
Structural Parameters ◽  
Structural Phase ◽  
Rare Earth Compound ◽  
Phase Transition Pressure ◽  
Volume Collapse ◽  
Cscl Type ◽  
Realistic Interaction ◽  
Good Agreement

The structural properties of rare earth compound in NaCl-structure are studied in the present investigation. To study these properties of erbium telluride (ErTe), the Realistic Interaction Potential Approach (RIPA) model has been used. Present compound shows NaCl-type to CsCl-type structural phase transformation. The structural properties, including phase transition pressure and volume collapse are obtained and compared with available literature. The calculated equilibrium structural parameters are in good agreement with the available experimental and theoretical results. Further more to study the electronic properties, band structure and density of state are reported.

Erratum: Quantum Critical End Point for the Kondo Volume Collapse Model [Phys. Rev. Lett.97, 185701 (2006)]

2010 ◽  
Vol 104 (11) ◽  
Author(s):  
M. Dzero ◽  
M. R. Norman ◽  
I. Paul ◽  
C. Pépin ◽  
J. Schmalian
Keyword(s):  
End Point ◽  
Volume Collapse ◽  
Collapse Model ◽  
Quantum Critical
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