Theory of Cross Phenomena and Their Coefficients Beyond Onsager Theorem
arXiv:2201.08653 · doi:10.1080/21663831.2022.2054668
Abstract
Cross phenomena, representing responses of a system to external stimuli, are ubiquitous from quantum to macro scale. The Onsager theorem is often used to describe them, stating that the coefficient matrix of cross phenomena connecting the driving forces and the fluxes of internal processes is symmetric. Here we show that this matrix is intrinsically diagonal when the driving forces are chosen from the gradients of potentials that drive the fluxes of their respective conjugate molar quantities in the combined law of thermodynamics including the contributions from internal processes. Various cross phenomena are discussed in terms of the present theory. https://doi.org/10.1080/21663831.2022.2054668
References in corpus (71)
- Restoring the density-gradient expansion for exchange in solids and surfaces
- Generalized gradient approximation for solids and their surfaces
- BoltzTraP. A code for calculating band-structure dependent quantities
- A nonequilibrium equality for free energy differences
- Stochastic thermodynamics, fluctuation theorems, and molecular machines
- The Entropy Production Fluctuation Theorem and the Nonequilibrium Work Relation for Free Energy Differences
- Spin Caloritronics
- Perspective on density functional theory
- BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients
- Critical Phenomena and Renormalization-Group Theory
- Electron-phonon interactions from first principles
- Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit
- Information heat engine: converting information to energy by feedback control
- Superconductive "sodalite"-like clathrate calcium hydride at high pressures
- Phase Diagram and High Temperature Superconductivity at 65 K in Tuning Carrier Concentration of Single-Layer FeSe Films
- First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3
- Density functional study of FeS, FeSe and FeTe: Electronic structure, magnetism, phonons and superconductivity
- The metallization and superconductivity of dense hydrogen sulfide
- The break up of heavy electrons at a quantum critical point
- Phase transitions in BaTiO from first principles
- The nonperturbative functional renormalization group and its applications
- Generalized Jarzynski Equality under Nonequilibrium Feedback Control
- Hydrogen sulphide at high pressure: a strongly-anharmonic phonon-mediated superconductor
- Fractal free energy landscapes in structural glasses
- Magnetic-Field Induced Quantum Critical Point in YbRhSi
- Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: application to platinum and palladium hydrides
- Why Does Undoped FeSe Become A High Tc Superconductor Under Pressure?
- Iron-Based Superconductors: current status of materials and pairing mechanism
- Orbital-driven nematicity in FeSe
- Discovery of Orbital-Selective Cooper Pairing in FeSe
- In situ epitaxial MgB2 thin films for superconducting electronics
- First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials
- Ab initio statistical mechanics of the ferroelectric phase transition in PbTiO3
- Thermodynamical Property of Entanglement Entropy for Excited States
- Superconducting hydrides under pressure
- Fluctuation Theorem with Information Exchange: Role of Correlations in Stochastic Thermodynamics
- Unconventional Superconductivity
- Thermodynamics of the Mg-B system: Implications for the deposition of MgB2 thin films
- Nematicity, magnetism and superconductivity in FeSe
- The key ingredients of the electronic structure of FeSe
- Accurate and efficient band gap predictions of metal halide perovskites using the DFT-1/2 method: GW accuracy with DFT expense
- Orbital-dependent modifications of electronic structure across magneto-structural transition in BaFe2As2
- Strong cooperative coupling of pressure-induced magnetic order and nematicity in FeSe
- On the Remarkable Superconductivity of FeSe and its Close Cousins
- Simulation studies of fluid critical behaviour
- Classification of phase transitions in small systems
- Fast Molecular-Dynamics Simulation for Ferroelectric Thin-Film Capacitors Using a First-Principles Effective Hamiltonian
- Band gaps of crystalline solids from Wannier-localization based optimal tuning of a screened range-separated hybrid functional
- First-Principles Thermodynamic Theory of Seebeck Coefficients
- Three-Dimensional Fermi Surface of Overdoped La-Based Cuprates
- Monte Carlo Studies of Quantum Critical Metals
- ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu-Mg
- Zentropy Theory for Positive and Negative Thermal Expansions
- Optimal probabilistic work extraction beyond the free energy difference with a single-electron device
- Coexistence of orbital and quantum critical magnetoresistance in FeSeS
- Thermodynamic Fluctuations in Magnetic Phase Transition: Invar as a Prototype
- Heavy holes: precursor to superconductivity in antiferromagnetic CeIn3
- Extensible Structure-Informed Prediction of Formation Energy with Improved Accuracy and Usability employing Neural Networks
- Lee-Yang theory, high cumulants, and large-deviation statistics of the magnetization in the Ising model
- DFTTK: Density Functional Theory ToolKit for High-throughput Lattice Dynamics Calculations
- Bulk superconductivity and role of fluctuations in the iron-based superconductor FeSe at high pressures
- A Critical Review on the Electromigration Effect, the Electroplastic Effect, and Perspectives on the Effects of Electric Current Upon Alloy Phase Stability
- Ab-initio based models for temperature-dependent magneto-chemical interplay in bcc Fe-Mn alloys
- Strong coupling theory of heavy fermion criticality II
- Superconductivity in Undoped BaFe2As2 by Tetrahedral Geometry Design
- Room temperature superconductivity dome at a Fano resonance in superlattices of wires
- Entropy and the second law for driven, or quenched, thermally isolated systems
- Comments on Thermodiffusion: The physico-chemical mechanics view. J. Chem. Phys. 154, 024112 (2021)
- A Finite-temperature First-principles Approach to Spin Fluctuation in BaFe_2As_2
- Multipolar nematic state of nonmagnetic FeSe based on the DFT+
- Tunable quantum critical point and detached superconductivity in Al-doped CrAs
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