Comment on “Orthorhombic Intermediate State in the Zinc Blende to Rocksalt Transformation Path of SiC at High Pressure”

2002 ◽  
Vol 88 (18) ◽  
Author(s):  
M. S. Miao ◽  
Margarita Prikhodko ◽  
Walter R. L. Lambrecht
Keyword(s):  
High Pressure ◽  
Intermediate State ◽  
Transformation Path ◽  
Zinc Blende

scholarly journals Mechanical properties and band structure of CdSe and CdTe nanostructures at high pressure - a first-principles study

2019 ◽  
Vol 13 (2) ◽  
pp. 124-131 ◽  
Author(s):  
Natarajan Kishore ◽  
Veerappan Nagarajan ◽  
Ramanathan Chandiramouli
Keyword(s):  
Mechanical Properties ◽  
High Pressure ◽  
Shear Modulus ◽  
Band Structure ◽  
First Principles ◽  
Pressure Range ◽  
Uniaxial Pressure ◽  
First Principles Calculations ◽  
Zinc Blende ◽  
Cauchy Pressure

First-principles calculations for CdSe and CdTe nanostructures were carried out to study their mechanical properties and band structure under the uniaxial pressure range of 0 to 50GPa. It was presumed that the CdSe and CdTe nanostructures exist in the zinc-blende phase under high pressure. The mechanical properties, such as elastic constants, bulk modulus, shear modulus and Young?s modulus, were explored. Furthermore, Cauchy pressure, Poisson?s ratio and Pugh?s criterion were studied under high pressure for both CdSe and CdTe nanostructures, and the results show that they exhibit ductile property. The band structure studies of CdSe and CdTe were also investigated. The findings show that the mechanical properties and the band structures of CdSe and CdTe can be tailored with high pressure.

COMPARATIVE STUDY OF THE STRUCTURAL AND ELECTRONIC PROPERTIES OF BN(5, 5) AND C(5, 5) NANOTUBES UNDER PRESSURE

2010 ◽  
Vol 24 (24) ◽  
pp. 4851-4859
Author(s):  
KAIHUA HE ◽  
GUANG ZHENG ◽  
GANG CHEN ◽  
QILI CHEN ◽  
MIAO WAN ◽  
...  
Keyword(s):  
High Pressure ◽  
Comparative Study ◽  
Charge Density ◽  
Band Gap ◽  
Electronic Properties ◽  
Cross Section ◽  
First Principles ◽  
First Principles Calculations ◽  
Zinc Blende ◽  
Structural And Electronic Properties

The structural and electronic properties of BN(5, 5) and C(5, 5) nanotubes under pressure are studied by using first principles calculations. In our study range, BN(5, 5) undergoes obvious elliptical distortion, while for C(5, 5) the cross section first becomes an ellipse and then, under further pressure, is flattened. The band gap of BN(5, 5) decreases with increasing pressure, which is inverse to that of zinc blende BN, whereas for C(5, 5) the metallicity is always preserved under high pressure. The population of charge density indicates that intertube bonding is formed under pressure. We also find that BN(5, 5) may collapse, and a new polymer material based on C(5, 5) is formed by applying pressure.

High-pressure phases of III-V zinc-blende semiconductors

1987 ◽  
Vol 35 (14) ◽  
pp. 7604-7610 ◽  
Author(s):  
S. B. Zhang ◽  
Marvin L. Cohen
Keyword(s):  
High Pressure ◽  
Zinc Blende

scholarly journals Neue 1320637-Verbindungen / New 1320637 Compounds

1988 ◽  
Vol 43 (2) ◽  
pp. 240-242 ◽  
Author(s):  
Klaus-Jürgen Range ◽  
Karin Handrick
Keyword(s):  
High Pressure ◽  
Crystal Structures ◽  
Atmospheric Pressure ◽  
Spinel Structure ◽  
Zinc Blende ◽  
Quaternary Compounds

New quaternary compounds AgIn2X3Y (X = Se, Te; Y = Br, I) could be synthesized from AgY-In2X3-mixtures at atmospheric pressure. The crystal structures are defect-wurtzite (AgIn2S3Br) or defect-zinc-blende (AgIn2Te3Br, AgIn2Te3I). A transformation to high-pressure phases with spinel structure (AgIn2Se3Br, AgIn2Se3I) or defect-NaCl-structure (AgIn2Te3Br, AgIn2Te3I) takes place at 20 and 40 kbar.,respectively. AgIn2S3I with spinel structure could by synthesized from AgI and In2S3 at 40 kbar, 500 °C

First-principles study of high-pressure phonon dispersions of wurtzite, zinc-blende, and rocksalt AlN

2008 ◽  
Vol 103 (1) ◽  
pp. 013506 ◽  
Author(s):  
S. Saib ◽  
N. Bouarissa ◽  
P. Rodríguez-Hernández ◽  
A. Muñoz
Keyword(s):  
High Pressure ◽  
First Principles ◽  
First Principles Study ◽  
Zinc Blende

PRESSURE-INDUCED METALLIZATION AND SUPERCONDUCTIVITY IN InP AND InN

2011 ◽  
Vol 25 (04) ◽  
pp. 573-587
Author(s):  
K. IYAKUTTI ◽  
V. REJILA ◽  
M. RAJARAJESWARI ◽  
C. NIRMALA LOUIS ◽  
S. MAHALAKSHMI
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structural Phase Transition ◽  
Electronic Band Structure ◽  
Indium Nitride ◽  
Structural Phase ◽  
Superconducting Transition ◽  
Electronic Band ◽  
Zinc Blende ◽  
Lmto Method

The electronic band structure, structural phase transition, metallization and superconducting transition of cubic zinc blende-type indium phosphide ( InP ) and indium nitride ( InN ), under pressure, are studied using TB-LMTO method. These indium compounds become metals and superconductors under high pressure but before that they undergo structural phase transition from ZnS to NaCl structure. The ground-state properties and band gap values are compared with the experimental and previous theoretical results. From our analysis, it is found that the metallization pressure increases with increase of lattice constant. The superconducting transition temperatures (Tc) of InP and InN are obtained as a function of pressure for both the ZnS and NaCl structures and these compounds are identified as pressure-induced superconductors. When pressure is increased Tc increases in both the normal ( ZnS ) and high pressure ( NaCl ) structures. The dependence of Tc on electron–phonon mass enhancement factor λ shows that InP and InN are electron–phonon mediated superconductors. The non-occurrence of metallization, phase transition and onset of superconductivity simultaneously in InP and InN are confirmed.

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