Structural phase transition of refractory metal carbides at high pressure

2014 ◽  
Vol 92 (5) ◽  
pp. 415-419 ◽  
Author(s):  
Bhoopendra Dhar Diwan
Keyword(s):  
Phase Transition ◽  
Structural Properties ◽  
Structural Phase Transition ◽  
Refractory Metal ◽  
Structural Phase ◽  
Metal Carbides ◽  
Type Phase ◽  
Reported Data ◽  
Three Body ◽  
Force Potential

There has been significant concern in analyzing the structural stability, structural properties, and pressure-induced structural phase transition of refractory metal carbides, RC (R = Ti, Zr, Hf, V, Nb, and Ta), by using the three-body force potential model calculation modified approach. The more accurate description of the interionic spacing (r0) suggests that the interactions considered in the present computation are capable of correctly predicting the structural properties of these materials. In the preset paper, we have investigated the relative stability of the two competitive phases of metal carbides and discussed the possible phase transitions from its parental NaCl (B1) type phase to its most stable CsCl (B2) type phase in the pressure range 344–572 GPa. The computed interionic spacing (r0) and phase transition pressures (PT) are in reasonable agreement with the other reported data.

Pressure-induced phase transition and thermophysical properties of cubic refractory metal nitrides: theory

2013 ◽  
Vol 91 (1) ◽  
pp. 27-33 ◽  
Author(s):  
Anurag Srivastava ◽  
Bhoopendra Dhar Diwan
Keyword(s):  
Phase Transition ◽  
Thermophysical Properties ◽  
Refractory Metal ◽  
Body Force ◽  
Structural Phase ◽  
Metal Nitrides ◽  
Type Phase ◽  
Three Body ◽  
First Time ◽  
Force Potential

The present paper reports the structural stability, pressure-induced phase transition, and thermophysical properties for refractory metal nitrides (viz: TiN, ZrN, HfN, VN, NbN, and TaN) computed using a three-body force potential model. The structural phase transitions from a parental NaCl (B1) type phase to the most stable CsCl (B2) type phase has been observed in the pressure range 162–370 GPa. Study includes the computation of thermophysical properties (U, f, θD, υ0,γ, β, αV/CV), where some of the properties are being reported for the first time on these materials.

High-pressure structural phase transition and metallization in Ga2S3 under non-hydrostatic and hydrostatic conditions up to 36.4 GPa

2021 ◽  
Author(s):  
Linfei Yang ◽  
Jianjun Jiang ◽  
Lidong Dai ◽  
Haiying Hu ◽  
Meiling Hong ◽  
...  
Keyword(s):  
Phase Transition ◽  
Raman Spectroscopy ◽  
High Pressure ◽  
Structural Properties ◽  
Structural Phase Transition ◽  
First Principles ◽  
Theoretical Calculations ◽  
Structural Phase

The vibrational, electrical and structural properties of Ga2S3 were explored by Raman spectroscopy, EC measurements, HRTEM and First-principles theoretical calculations under different pressure environments up to 36.4 GPa.

Structural phase transition and structural properties in oxygenated La2CuO4+y; y ∼0.02

2001 ◽  
Vol 74 (4) ◽  
pp. 391-408 ◽  
Author(s):  
M. Hidaka ◽  
K. Tanaka ◽  
M. Yoshimura ◽  
M. Ohba ◽  
K. Yamada ◽  
...  
Keyword(s):  
Phase Transition ◽  
Structural Properties ◽  
Structural Phase Transition ◽  
Structural Phase

From structural phase transition to highly sensitive lifetime based luminescent thermometer: multifaceted modification of thermometric performance in Y0.9-xNdxYb0.1PO4 nanocrystals

2021 ◽  
Author(s):  
Kamila Maciejewska ◽  
Marcin Szalkowski ◽  
Artur Bednarkiewicz ◽  
Lukasz Marciniak
Keyword(s):  
Phase Transition ◽  
Structural Properties ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Deep Understanding ◽  
Luminescent Properties ◽  
Host Material ◽  
Temperature Dependent ◽  
Highly Sensitive

The development of highly sensitive luminescent thermometer requires deep understanding of the correlation between structural properties of the host material with temperature-dependent luminescent properties of lanthanide emitters embedded in these...

Structural properties of pressure-induced structural phase transition of Si-doped GaAs by angular-dispersive X-ray diffraction

2016 ◽  
Vol 122 (2) ◽  
Author(s):  
Kung-Liang Lin ◽  
Chih-Ming Lin ◽  
Yu-Sheng Lin ◽  
Sheng-Rui Jian ◽  
Yen-Fa Liao ◽  
...  
Keyword(s):  
Phase Transition ◽  
Structural Properties ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Si Doped

scholarly journals Investigation of Structural Phase Transition of PbS

2012 ◽  
Vol 2012 ◽  
pp. 1-4 ◽  
Author(s):  
Purvee Bhardwaj
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Elastic Properties ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Three Body ◽  
Body Potential ◽  
Model Phase ◽  
Sudden Collapse ◽  
Good Agreement

The high-pressure structural phase transition of semiconductor PbS has been investigated, using the three body potential (TBP) model. Phase transition pressures are associated with a sudden collapse in volume. The phase transition pressures and related volume collapses obtained from this model show a generally good agreement with available results. Moreover, the elastic properties of PbS are also investigated.

Structural phase transition of GdGa2 at high pressure

2001 ◽  
Vol 216 (6) ◽  
Author(s):  
U. Schwarz ◽  
S. Bräuninger ◽  
U. Burkhardt ◽  
K. Syassen ◽  
M. Hanfland
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Intermetallic Compound ◽  
Structural Properties ◽  
Structural Phase Transition ◽  
Structural Phase

AbstractStructural properties of the intermetallic compound GdGa

High Pressure Structural Phase Transition and Elastic Properties of Europium Chalcogenides

2014 ◽  
Vol 1047 ◽  
pp. 163-169
Author(s):  
Ashvini K. Sahu ◽  
M. Aynyas ◽  
R. Bhardwaj ◽  
Sankar P. Sanyal
Keyword(s):  
Experimental Data ◽  
Phase Transition ◽  
High Pressure ◽  
Elastic Properties ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Phase Transition Pressure ◽  
Ionic Nature ◽  
Three Body ◽  
Body Potential

The high pressure induced structural phase transition and elastic properties of three Europium chalcogenides (EuX; X = S, Se, Te) have been studied using a two body potential approach. The calculated compression curves of EuS, EuSe and EuTe obtained so has been compared with recently measured three body potential data. The calculated transition pressures are in good agreement with the experimental data. The phase transition pressure for EuS, EuSe and EuTe going from the NaCl phase to CsCl phase have been observed are 22 GPa, 15 GPa, 10 GPa respectively, close the theoretical and experimental data. We have also calculated bulk modulas and second order elastic constants at high pressure which show partly ionic nature of theses compounds. The B1 (NaCl) phase is found to be higher in energy than the B2 (CsCl) phase and more stable at zero pressure.

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