ELASTIC-CONSTANTS

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Phonon Dispersion in Equiatomic Li-Based Binary Alloys被引量：1
《Chinese Physics Letters》2008年第2期654-657,共4页Aditya M. Vora 
The computations of the phonon dispersion curves （PDC） of four equiatomic Li-based binary alloys, namely Li0.5Na0.5, Li0.5K0.5, Li0.5Rb0.5 and Li0.5Cs0.5, to second order in the local model potential is discussed in...
关键词：CRYSTAL DYNAMICS ELASTIC-CONSTANTS DEGREES K CURVES METALS 
Pressure and Temperature Induced Phase Transition of ZnS from First-Principles Calculations被引量：1
《Chinese Physics Letters》2008年第2期675-678,共4页胡翠娥 孙丽丽 曾召益 陈向荣 
Supported by the National Natural Science Foundation of China under Grant Nos 10576020 and 10776022.
The pressure induced phase transition of ZnS from the wurtzite （WZ） and the zincblende （ZB） structures to the rocksalt （RS） structure and the temperature induced phase transition from the ZB structure to the WZ ...
关键词：ELASTIC-CONSTANTS WURTZITE ENERGY TRANSFORMATIONS NANOCRYSTALLINE FABRICATION NANOBELTS CRYSTALS 
Phase Transition and Melting Curves of Calcium Fluoride via Molecular Dynamics Simulations
《Chinese Physics Letters》2008年第1期230-233,共4页曾召益 陈向荣 朱俊 胡翠娥 
Supported by the National Natural Science Foundation of China under Grant Nos 10576020 and 10776022. The authors would like to thank Professor J. D. Gale for providing us the GULP code.
The phase transition and melting curves of CaF2 are investigated by using the general utility lattice programme （CULP） via the shell model with molecular dynamics method. By calculating the entropy H （at OK） and C...
关键词：ELASTIC-CONSTANTS HIGH-PRESSURE CAF2 TEMPERATURE CRYSTAL STABILITY 
Structural and Thermodynamic Properties of Gallium Arsenide with Hexagonal Wurtzite Structure from First-Principles Analysis
《Chinese Physics Letters》2007年第3期814-817,共4页崔红玲 张伟 程艳 陈向荣 
Supported by the National Natural Science Foundation of China under Grant No 10576020.
A first-principles plane wave method with the ultrasoft pseudopotential scheme in the frame of the generalized gradient approximation （GGA） is performed to calculate the lattice parameters, the bulk modulus Bo and i...
关键词：ELASTIC-CONSTANTS PHASE-STABILITY SEMICONDUCTORS GAAS MGB2 
In-Situ Conductivity Measurement of BaF2 under High Pressure and High Temperature
《Chinese Physics Letters》2006年第11期2917-2919,共3页郝爱民 高春晓 李明 贺春元 黄晓伟 张东梅 于翠玲 邹广田 李延春 李晓东 刘景 
Supported by the National Natural Science Foundation of China under Grant Nos 40473034, 40404007, 10574055, and 50532020, and the National Basic research Program of China under Grant No 2005CB724404.
We perform the in-situ conductivity measurement on BaF2 at high pressure using a microcircuit fabricated on a diamond anvil cell. The results show that BaF2 initially exhibits the electrical property of an insulator a...
关键词：DIAMOND-ANVIL CELL ELASTIC-CONSTANTS PHASE-TRANSITIONS IONIC-CONDUCTIVITY CRYSTALS FLUORIDE SIMULATIONS DEPENDENCE RESISTANCE SRCL2 
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