scholarly journals Effect of the Order-Disorder Transition on the Electronic Structure and Physical Properties of Layered CuCrS2

Materials ◽  
2021 ◽  
Vol 14 (11) ◽  
pp. 2729
Author(s):  
Evgeniy V. Korotaev ◽  
Mikhail M. Syrokvashin ◽  
Irina Yu. Filatova ◽  
Aleksandr V. Sotnikov
Keyword(s):  
Phase Transition ◽  
Electrical Resistivity ◽  
Electronic Structure ◽  
Seebeck Coefficient ◽  
Sample Treatment ◽  
Treatment Procedure ◽  
Metal Insulator Transition ◽  
Metal Insulator ◽  
Octahedral Sites ◽  
Comprehensive Study

The work reports a comprehensive study of the Seebeck coefficient, electrical resistivity and heat capacity of CuCrS2 in a wide temperature range of 100–740 K. It was shown that the value of the Seebeck coefficient is significantly affected by the sample treatment procedure. The order-to-disorder (ODT) phase transition was found to cause a metal-insulator transition (MIT). It was established that the ODT diminishes the Seebeck coefficient at high temperatures (T > 700 K). The DFT calculations of the CuCrS2 electronic structure showed that the localization of copper atoms in octahedral sites makes the band gap vanish due to the MIT. The decrease of CuCrS2 electrical resistivity in the ODT temperature region corresponds to the MIT.

Tight-Binding Model for DNA Double Chains: Metal–Insulator Transition Due to the Formation of a Double Strand of DNA

1997 ◽  
Vol 11 (20) ◽  
pp. 2405-2423 ◽  
Author(s):  
Kazumoto Iguchi
Keyword(s):  
Electronic Structure ◽  
Finite Temperature ◽  
Deoxyribonucleic Acid ◽  
Recent Observation ◽  
Tight Binding ◽  
Tight Binding Model ◽  
Metal Insulator Transition ◽  
Binding Model ◽  
Metal Insulator ◽  
System A

A tight-binding model is formulated for the calculation of the electronic structure of a double strand of deoxyribonucleic acid (DNA). The theory is applied to DNA with a particular structure such as the ladder and decorated ladder structures. It is found that there is a novel type of metal–insulator transitions due to the hopping anisotropy of the system. A metal-semimetal-semiconductor transition is found in the former and an effective semiconductor-metal transition at finite temperature in the latter, as the effect of base paring between two strands of DNA is increased. The latter mechanism may be responsible for explaining the Meade and Kayyem's recent observation.

Orbital change manipulation metal–insulator transition temperature in W-doped VO2

2015 ◽  
Vol 17 (17) ◽  
pp. 11638-11646 ◽  
Author(s):  
Xinfeng He ◽  
Yijie Zeng ◽  
Xiaofeng Xu ◽  
Congcong Gu ◽  
Fei Chen ◽  
...  
Keyword(s):  
Phase Transition ◽  
Infrared Spectroscopy ◽  
Transition Temperature ◽  
Phase Transition Temperature ◽  
First Principles ◽  
Insulator Transition ◽  
First Principles Calculations ◽  
Orbital Structure ◽  
Metal Insulator Transition ◽  
Metal Insulator

Using ultraviolet-infrared spectroscopy and first principles calculations, it is revealed that changes in the orbital structure can regulate the W-doped VO2 phase transition temperature.

scholarly journals Electronic-structure evolution through the metal-insulator transition inRNiO3

1999 ◽  
Vol 60 (12) ◽  
pp. R8426-R8429 ◽  
Author(s):  
I. Vobornik ◽  
L. Perfetti ◽  
M. Zacchigna ◽  
M. Grioni ◽  
G. Margaritondo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Insulator Transition ◽  
Structure Evolution ◽  
Metal Insulator Transition ◽  
Metal Insulator

Electronic structure of and covalency driven metal-insulator transition in BaCo1-xNixS2

2001 ◽  
Vol 63 (4) ◽  
Author(s):  
S. Krishnakumar ◽  
T. Saha-Dasgupta ◽  
N. Shanthi ◽  
Priya Mahadevan ◽  
D. Sarma
Keyword(s):  
Electronic Structure ◽  
Insulator Transition ◽  
Metal Insulator Transition ◽  
Metal Insulator

scholarly journals Electronic structure of negative charge transfer CaFeO3 across the metal-insulator transition

2018 ◽  
Vol 2 (1) ◽  
Author(s):  
Paul C. Rogge ◽  
Ravini U. Chandrasena ◽  
Antonio Cammarata ◽  
Robert J. Green ◽  
Padraic Shafer ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Negative Charge ◽  
Insulator Transition ◽  
Metal Insulator Transition ◽  
Metal Insulator

Metal-insulator transition and electronic structure in Pr-doped Bi2Sr2(Caz, Pr1 − z)Cu2O8 + y

1996 ◽  
Vol 223-224 ◽  
pp. 519-521 ◽  
Author(s):  
B Beschoten ◽  
C Quitmann ◽  
R.J Kelley ◽  
M Onellion ◽  
G Güntherodt
Keyword(s):  
Electronic Structure ◽  
Insulator Transition ◽  
Metal Insulator Transition ◽  
Metal Insulator
Sign in / Sign up

Export Citation Format

Share Document