Microscopic phase-transition theory of charge density waves: revealing hidden transitions of phason and amplitudon

We develop a self-consistent phase-transition theory of charge density waves (CDWs), starting from a purely microscopic model. Specifically, we derive a microscopic CDW gap equation $|Δ_0(T)|$, taking into account of thermal phase fluctuations (i.e., thermal excitation of phason) and their influence on CDW pinning (i.e., the phason mass) and CDW gap. We demonstrate that as temperature increases from zero, the phason gradually softens, leading to a depinning transition (where the phason becomes gapless) at $T_d$ and a subsequent first-order CDW phase transition at $T_c>T_d$. The predicted values of $T_d$, $T_c$ as well as the large ratio of $|Δ_0(T=0)|/(k_BT_c)$ for the quasi-one-dimensional CDW material (TaSe$_4$)$_2$I show remarkable quantitative agreements with experimental measurements and explain many of the previously observed key thermodynamic features and unresolved issues in literature. To further validate the theory, we calculate the energy gap of CDW amplitudon and its lifetime, and reveal a transition of amplitudon from a lightly damped to a heavily damped excitation during pinning-depinning transition while its energy gap is nearly unchanged throughout the entire CDW phase. This finding quantitatively captures and explains the recently observed coherent signal in ultrafast THz emission spectroscopy on (TaSe$_4$)$_2$I.

Publication Details

Journal
ArXiv.org
Published
2025-05-08
Primary Topic
Organic and Molecular Conductors Research
Type
article
Field-Weighted Citation Impact
0.00

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article

Microscopic phase-transition theory of charge density waves: revealing hidden transitions of phason and amplitudon

ArXiv.org
Organic and Molecular Conductors Research
article

Microscopic phase-transition theory of charge density waves: revealing hidden transitions of phason and amplitudon

article en

Abstract

We develop a self-consistent phase-transition theory of charge density waves (CDWs), starting from a purely microscopic model. Specifically, we derive a microscopic CDW gap equation $|Δ_0(T)|$, taking into account of thermal phase fluctuations (i.e., thermal excitation of phason) and their influence on CDW pinning (i.e., the phason mass) and CDW gap. We demonstrate that as temperature increases from zero, the phason gradually softens, leading to a depinning transition (where the phason becomes gapless) at $T_d$ and a subsequent first-order CDW phase transition at $T_c>T_d$. The predicted values of $T_d$, $T_c$ as well as the large ratio of $|Δ_0(T=0)|/(k_BT_c)$ for the quasi-one-dimensional CDW material (TaSe$_4$)$_2$I show remarkable quantitative agreements with experimental measurements and explain many of the previously observed key thermodynamic features and unresolved issues in literature. To further validate the theory, we calculate the energy gap of CDW amplitudon and its lifetime, and reveal a transition of amplitudon from a lightly damped to a heavily damped excitation during pinning-depinning transition while its energy gap is nearly unchanged throughout the entire CDW phase. This finding quantitatively captures and explains the recently observed coherent signal in ultrafast THz emission spectroscopy on (TaSe$_4$)$_2$I.

ArXiv.org
U.S. Department of Energy, University of Pennsylvania, Pennsylvania State University, Office of Science, Basic Energy Sciences
Affordable and clean energy
Openalex Percentile: Top 62%
Organic and Molecular Conductors Research
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Microscopic phase-transition theory of charge density waves: revealing hidden transitions of phason and amplitudon · ArXiv.org (2025) | TGRS Research Map | TGRS