The mixed P, T derivative of isothermal bulk modulus for solids

2000 ◽  
Vol 88 (10) ◽  
pp. 6084-6085 ◽  
Author(s):  
Hunmoo Jeon ◽  
Bongkee Cho
Keyword(s):  
Bulk Modulus ◽  
Isothermal Bulk Modulus

scholarly journals Thermal properties of cubic zincblende thallium-phosphide from quasi-harmonic Debye model approximation

2017 ◽  
Vol 5 (1) ◽  
pp. 14 ◽  
Author(s):  
Salah Daoud
Keyword(s):  
High Pressure ◽  
Thermal Properties ◽  
Bulk Modulus ◽  
Unit Cell Volume ◽  
Theoretical Data ◽  
Debye Model ◽  
Zero Temperature ◽  
Isothermal Bulk Modulus ◽  
Model Approximation ◽  
First Order

The thermal properties of cubic zincblende (B3) thallium - phosphide (TlP) compound under high pressure up to 12 GPa have been studied using the quasi-harmonic Debye model approximation. The relative unit cell volume, the isothermal bulk modulus, the first order derivative isothermal bulk modulus, the Debye temperature and the Grüneisen parameter are studied at zero-temperature and at standard ambient temperature (298 K) respectively. Our obtained values of the different previous quantities are in general in agreement compared to other theoretical data of the literature.

Effects of pressure and temperature on the isothermal bulk modulus of CaO

2011 ◽  
Vol 406 (2) ◽  
pp. 293-296 ◽  
Author(s):  
T. Song ◽  
X.W. Sun ◽  
R.F. Wang ◽  
H.W. Lu ◽  
J.H. Tian ◽  
...  
Keyword(s):  
Bulk Modulus ◽  
Isothermal Bulk Modulus

Structural and Vibrational Properties of Manganese Sulfide

2013 ◽  
Vol 209 ◽  
pp. 186-189
Author(s):  
Brijmohan Y. Thakore ◽  
A.Y. Vahora ◽  
S.G. Khambholja ◽  
A.R. Jani
Keyword(s):  
Bulk Modulus ◽  
Density Functional ◽  
Local Density ◽  
Theoretical Calculations ◽  
Manganese Sulfide ◽  
High Symmetry ◽  
Isothermal Bulk Modulus ◽  
Pressure Derivative ◽  
Density Functional Perturbation Theory ◽  
Quantum Espresso

Structural properties of MnS have been studied using plane wave pseudopotential density functional theory as implemented in Quantum Espresso code. Local density approximation (LDA) along with ultrasoft pseudopotential has been used for total energy calculations. The calculated total energies are fitted to Murnaghan equation of state to calculate equilibrium lattice constant, isothermal bulk modulus and pressure derivative of isothermal bulk modulus for NaCl-type structure of MnS and compared with previous experimental and theoretical calculations and good agreement is achieved with those results. Phonon frequencies have also been derived for B1 phase of MnS along high symmetry directions using the density functional perturbation theory at ambient condition.

Sign in / Sign up

Export Citation Format

Share Document