Quantum phase transitions in interfacing two gapped systems of ordinary fermions driven by external strain and atomic adsorption

2015 ◽  
Vol 17 (27) ◽  
pp. 18178-18184 ◽  
Author(s):  
Li Chen ◽  
Kai Chang ◽  
X. G. Zheng ◽  
S. H. Ji ◽  
D. C. Wang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Phase Transitions ◽  
First Principles ◽  
Quantum Phase Transitions ◽  
Quantum Phase ◽  
First Principles Calculations ◽  
Interface Polarization ◽  
Atomic Adsorption ◽  
External Strain

We study how the electronic structure of a single bilayer Bi on a single quintuple layer Bi2Se3 (Bi2Te3) changes with interface polarization, strain and H adsorption using first-principles calculations.

Quantum phase transitions in Sn bilayer based interfacial systems by an external strain

2016 ◽  
Vol 18 (35) ◽  
pp. 24350-24355 ◽  
Author(s):  
Li Chen ◽  
Qiandong Zhuang ◽  
Yeqing Chen ◽  
Changmin Shi ◽  
Dongchao Wang
Keyword(s):  
Phase Transitions ◽  
Electronic Structures ◽  
Quantum Phase Transitions ◽  
Quantum Phase ◽  
First Principle ◽  
Interface Polarization ◽  
First Principle Calculations ◽  
First Time ◽  
External Strain

Using first-principle calculations, we report for the first time, the changes in electronic structures of a single bilayer Sn stacked on a single bilayer Sb(Bi) and on a single quintuple layer Sb2Te3 induced by both interface polarization and strain.

scholarly journals Structural phase transitions in VSe2: energetics, electronic structure and magnetism

2019 ◽  
Vol 21 (40) ◽  
pp. 22647-22653 ◽  
Author(s):  
Georgy V. Pushkarev ◽  
Vladimir G. Mazurenko ◽  
Vladimir V. Mazurenko ◽  
Danil W. Boukhvalov
Keyword(s):  
Electronic Structure ◽  
Phase Transitions ◽  
Electronic Properties ◽  
First Principles ◽  
Structural Phase ◽  
First Principles Calculations ◽  
Structural Phase Transitions

First principles calculations of the magnetic and electronic properties of VSe2 describing the transition between two structural phases (H,T) were performed.

scholarly journals Strain Engineered Band Gaps and Electronic Properties in PbPdO2 and PbPd0.75Co0.25O2 Slabs

Materials ◽  
2018 ◽  
Vol 11 (10) ◽  
pp. 2002
Author(s):  
Yanmin Yang ◽  
Kehua Zhong ◽  
Guigui Xu ◽  
Jian-Min Zhang ◽  
Zhigao Huang
Keyword(s):  
Electronic Structure ◽  
Carrier Concentration ◽  
First Principles ◽  
Bond Angle ◽  
Charge Carrier Concentration ◽  
Band Gaps ◽  
First Principles Calculations ◽  
Potential Mechanism ◽  
Plane Anisotropy ◽  
External Strain

Electronic structure and corresponding electrical properties of PbPdO2 and PbPd0.75Co0.25O2 ultrathin slabs with (002) preferred orientation were systematically investigated using first-principles calculations. The calculated results revealed the strain induced evidently the changes of band structure and carrier concentration in both slabs. It was also found that PbPdO2 and PbPd0.75Co0.25O2 ultrathin slabs exhibited evident differences in the external strain dependence of the band gap and charge carrier concentration, which was strongly dependent on bond angle and bond length induced by in-plane anisotropy strain. Interestingly, the carrier concentration of the PbPd0.75Co0.25O2 slab could increase up to 5–6 orders of magnitude with the help of external strain, which could explain the potential mechanism behind the observed colossal strain-induced electrical behaviors. This work demonstrated that the influence of the doping effect in the case of PbPdO2 could be a potentially fruitful approach for the development of promising piezoresistive materials.

scholarly journals Quantum phase transitions on the hexagonal lattice

2021 ◽  
pp. 2141003
Author(s):  
Dominik Smith ◽  
Pavel Buividovich ◽  
Michael Körner ◽  
Maksim Ulybyshev ◽  
Lorenz von Smekal
Keyword(s):  
Monte Carlo ◽  
Phase Transitions ◽  
Monte Carlo Simulations ◽  
First Principles ◽  
Present Status ◽  
Phase Structure ◽  
Quantum Phase Transitions ◽  
Hexagonal Lattice ◽  
Quantum Phase ◽  
Hybrid Monte Carlo

Hubbard-type models on the hexagonal lattice are of great interest, as they provide realistic descriptions of graphene and other related materials. Hybrid Monte Carlo simulations offer a first-principles approach to study their phase structure. Here, we review the present status of our work in this direction.

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

Quantum phase transitions

2004 ◽  
Vol 174 (8) ◽  
pp. 853 ◽  
Author(s):  
Sergei M. Stishov
Keyword(s):  
Phase Transitions ◽  
Quantum Phase Transitions ◽  
Quantum Phase

scholarly journals Magnetic Field- and Pressure-Induced Quantum Phase Transitions in NH4CuCl3

2005 ◽  
Vol 159 ◽  
pp. 241-245 ◽  
Author(s):  
Masashi Fujisawa ◽  
Budhy Kurniawan ◽  
Toshio Ono ◽  
Hidekazu Tanaka
Keyword(s):  
Magnetic Field ◽  
Phase Transitions ◽  
Quantum Phase Transitions ◽  
Quantum Phase
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