scholarly journals Normal-to-topological insulator martensitic phase transition in group-IV monochalcogenides driven by light

2020 ◽  
Vol 12 (1) ◽  
Author(s):  
Jian Zhou ◽  
Shunhong Zhang ◽  
Ju Li
Keyword(s):  
Phase Transition ◽  
Phase Change ◽  
Electronic Band Structure ◽  
Dielectric Medium ◽  
Group Iv ◽  
Electronic Band ◽  
Optical Responses ◽  
Martensitic Phase Transition ◽  
Linearly Polarized ◽  
Frequency Power

AbstractA material potentially exhibiting multiple crystalline phases with distinct optoelectronic properties can serve as a phase-change memory material. The sensitivity and kinetics can be enhanced when the two competing phases have large electronic structure contrast and the phase change process is diffusionless and martensitic. In this work, we theoretically and computationally illustrate that such a phase transition could occur in the group-IV monochalcogenide SnSe compound, which can exist in the quantum topologically trivial Pnma-SnSe and nontrivial $$Fm\bar 3m$$Fm3¯m-SnSe phases. Furthermore, owing to the electronic band structure differences of these phases, a large contrast in the optical responses in the THz region is revealed. According to the thermodynamic theory for a driven dielectric medium, optomechanical control to trigger a topological phase transition using a linearly polarized laser with selected frequency, power and pulse duration is proposed. We further estimate the critical optical electric field to drive a barrierless transition that can occur on the picosecond timescale. This light actuation strategy does not require fabrication of mechanical contacts or electrical leads and only requires transparency. We predict that an optically driven phase transition accompanied by a large entropy difference can be used in an “optocaloric” cooling device.

Electronic and Optical Properties of HgI2

1993 ◽  
Vol 302 ◽  
Author(s):  
Yia-Chung Chang ◽  
Hock-Kee Sim ◽  
R. B. James
Keyword(s):  
Electronic Structures ◽  
Electronic Band Structure ◽  
Scattering Data ◽  
Matrix Elements ◽  
Interband Transitions ◽  
Phonon Modes ◽  
Electronic Band ◽  
Optical Responses ◽  
Tetragonal Form ◽  
Excitonic Effects

ABSTRACTWe present theoretical studies of electronic structures, optical responses, and phonon modes of undoped HgI2 in its red tetragonal form. The electronic band structure is studied via an empirical nonlocal pseudopotential model, including the spin-orbit interaction. The electron and hole effective masses, optical matrix elements for interband transitions, and complex dielectric function are computed. Excitonic effects on the absorption coefficient near the fundamental band gap are included within the effectivemass approximation. The resulting absorption spectra and their polarization dependence are compared with experiment with favorable agreement. The phonon modes of HgI2 are studied with a microscopic model and a good fit to the neutron scattering data is obtained.

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.

scholarly journals Subpicosecond metamagnetic phase transition driven by non-equilibrium electron dynamics

2021 ◽  
Author(s):  
Federico Pressacco ◽  
Davide Sangalli ◽  
Vojtěch Uhlíř ◽  
Dmytro Kutnyakhov ◽  
Jon Ander Arregi ◽  
...  
Keyword(s):  
Phase Transition ◽  
Phase Transitions ◽  
Ab Initio ◽  
Photoelectron Spectroscopy ◽  
Electronic Band Structure ◽  
Ferromagnetic Phase ◽  
Electron Dynamics ◽  
Electronic Band ◽  
Time Resolved ◽  
Non Equilibrium

Abstract Femtosecond light-induced phase transitions between different macroscopic orders provide the possibility to tune the functional properties of condensed matter on ultrafast timescales. In first-order phase transitions, transient non-equilibrium phases and inherent phase coexistence often preclude non-ambiguous detection of transition precursors and their temporal onset. Here, we present a study combining time-resolved photoelectron spectroscopy and ab-initio electron dynamics calculations elucidating the transient subpicosecond processes governing the photoinduced generation of ferromagnetic order in antiferromagnetic FeRh. The transient photoemission spectra are accounted for by assuming that not only the occupation of electronic states is modified during the photoexcitation process. Instead, the photo-generated non-thermal distribution of electrons modifies the electronic band structure. The ferromagnetic phase of FeRh, characterized by a minority band near the Fermi energy, is established 350 ± 30 fs after the laser excitation. Ab-initio calculations indicate that the phase transition is initiated by a photoinduced Rh-to-Fe charge transfer.

scholarly journals Subpicosecond metamagnetic phase transition in FeRh driven by non-equilibrium electron dynamics

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Federico Pressacco ◽  
Davide Sangalli ◽  
Vojtěch Uhlíř ◽  
Dmytro Kutnyakhov ◽  
Jon Ander Arregi ◽  
...  
Keyword(s):  
Phase Transition ◽  
Phase Transitions ◽  
Ab Initio ◽  
Photoelectron Spectroscopy ◽  
Electronic Band Structure ◽  
Ferromagnetic Phase ◽  
Electron Dynamics ◽  
Electronic Band ◽  
Time Resolved ◽  
Non Equilibrium

AbstractFemtosecond light-induced phase transitions between different macroscopic orders provide the possibility to tune the functional properties of condensed matter on ultrafast timescales. In first-order phase transitions, transient non-equilibrium phases and inherent phase coexistence often preclude non-ambiguous detection of transition precursors and their temporal onset. Here, we present a study combining time-resolved photoelectron spectroscopy and ab-initio electron dynamics calculations elucidating the transient subpicosecond processes governing the photoinduced generation of ferromagnetic order in antiferromagnetic FeRh. The transient photoemission spectra are accounted for by assuming that not only the occupation of electronic states is modified during the photoexcitation process. Instead, the photo-generated non-thermal distribution of electrons modifies the electronic band structure. The ferromagnetic phase of FeRh, characterized by a minority band near the Fermi energy, is established 350 ± 30 fs after the laser excitation. Ab-initio calculations indicate that the phase transition is initiated by a photoinduced Rh-to-Fe charge transfer.

BAND STRUCTURE, METALLIZATION AND SUPERCONDUCTIVITY OF InP AND InN UNDER HIGH PRESSURE

2012 ◽  
Vol 11 (01) ◽  
pp. 19-33 ◽  
Author(s):  
A. AMAL RAJ ◽  
C. NIRMALA LOUIS ◽  
V. REJILA ◽  
K. IYAKUTTI
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Band Structure ◽  
Structural Phase Transition ◽  
Electronic Band Structure ◽  
Indium Nitride ◽  
Structural Phase ◽  
Superconducting Transition ◽  
Electronic Band ◽  
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 FP-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 is confirmed.

BAND STRUCTURE, METALLIZATION, AND SUPERCONDUCTIVITY OF GaAs AND InAs UNDER HIGH PRESSURE

2007 ◽  
Vol 06 (04) ◽  
pp. 833-843 ◽  
Author(s):  
A. AMALRAJ ◽  
C. NIRMALA LOUIS ◽  
SR. GERARDIN JAYAM
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Band Structure ◽  
Structural Phase Transition ◽  
Electronic Band Structure ◽  
Structural Phase ◽  
Normal Structure ◽  
Superconducting Transition ◽  
Electronic Band ◽  
Phase Transition Pressure

The electronic band structure, metallization, structural phase transition, and superconductivity of cubic zinc blende type GaAs and InAs are investigated. The equilibrium lattice constant, bulk modulus, and the phase transition pressure at which the compounds undergo structural phase transition from ZnS to NaCl are predicted from the total energy calculations. The density of states at the Fermi level (N(E F )) get enhanced after metallization, which leads to the superconductivity in GaAs and InAs . The superconducting transition temperatures (T c ) of GaAs and InAs are obtained as a function of pressure for both the ZnS and NaCl structures. GaAs and InAs come under the class of pressure-induced superconductors. When pressure is increased T c increases in both the normal and high pressure-structures. The dependence of T c on electron–phonon mass enhancement factor λ shows that GaAs and InAs are electron–phonon-mediated superconductors. Also, it is found that GaAs and InAs retained in their normal structure under high pressure give appreciably high T c .

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