Pub Date : 2020-03-04DOI: 10.1080/00018732.2023.2190730
J. Langer
The thermodynamic dislocation theory (TDT) is based on two fundamental but unconventional assumptions: first, that the dislocations in a persistently deforming crystalline solid must obey the second law of thermodynamics and thus be described by an effective temperature; and second, that the controlling time scale for deformation of these systems is the inverse of the thermally activated rate at which entangled dislocation lines become unpinned from each other. By use of these first-principles concepts and comparisons with experimental data, I show that this theory achieves new, usefully predictive understandings of strain hardening, yield stresses, shear banding, and brittle and ductile fracture. I argue that it opens new directions for research.
{"title":"Statistical thermodynamics of dislocations in solids","authors":"J. Langer","doi":"10.1080/00018732.2023.2190730","DOIUrl":"https://doi.org/10.1080/00018732.2023.2190730","url":null,"abstract":"The thermodynamic dislocation theory (TDT) is based on two fundamental but unconventional assumptions: first, that the dislocations in a persistently deforming crystalline solid must obey the second law of thermodynamics and thus be described by an effective temperature; and second, that the controlling time scale for deformation of these systems is the inverse of the thermally activated rate at which entangled dislocation lines become unpinned from each other. By use of these first-principles concepts and comparisons with experimental data, I show that this theory achieves new, usefully predictive understandings of strain hardening, yield stresses, shear banding, and brittle and ductile fracture. I argue that it opens new directions for research.","PeriodicalId":7373,"journal":{"name":"Advances in Physics","volume":"70 1","pages":"445 - 467"},"PeriodicalIF":0.0,"publicationDate":"2020-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42691892","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2020-01-02DOI: 10.1080/00018732.2020.1837833
M. Dressel, S. Tomi'c
This review provides a perspective on recent developments and their implications for our understanding of novel quantum phenomena in the physics of two-dimensional organic solids. We concentrate on the phase transitions and collective response in the charge sector, the importance of coupling of electronic and lattice degrees of freedom and stress an intriguing role of disorder. After a brief introduction to low-dimensional organic solids and their crystallographic structures, we focus on the dimensionality and interactions and emergent quantum phenomena. Important topics of current research in organic matter with sizeable electronic correlations are Mott metal-insulator phase transitions, charge order and ferroelectricity. Highly frustrated two-dimensional systems are established model compounds for studying the quantum spin liquid state and the competition with magnetic long-range order. There are also unique examples of quantum disordered state of magnetic and electric dipoles. Representative experimental results are complemented by current theoretical approaches.
{"title":"Molecular quantum materials: electronic phases and charge dynamics in two-dimensional organic solids","authors":"M. Dressel, S. Tomi'c","doi":"10.1080/00018732.2020.1837833","DOIUrl":"https://doi.org/10.1080/00018732.2020.1837833","url":null,"abstract":"This review provides a perspective on recent developments and their implications for our understanding of novel quantum phenomena in the physics of two-dimensional organic solids. We concentrate on the phase transitions and collective response in the charge sector, the importance of coupling of electronic and lattice degrees of freedom and stress an intriguing role of disorder. After a brief introduction to low-dimensional organic solids and their crystallographic structures, we focus on the dimensionality and interactions and emergent quantum phenomena. Important topics of current research in organic matter with sizeable electronic correlations are Mott metal-insulator phase transitions, charge order and ferroelectricity. Highly frustrated two-dimensional systems are established model compounds for studying the quantum spin liquid state and the competition with magnetic long-range order. There are also unique examples of quantum disordered state of magnetic and electric dipoles. Representative experimental results are complemented by current theoretical approaches.","PeriodicalId":7373,"journal":{"name":"Advances in Physics","volume":"69 1","pages":"1 - 120"},"PeriodicalIF":0.0,"publicationDate":"2020-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/00018732.2020.1837833","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48099038","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-03DOI: 10.1080/00018732.2019.1650450
R. D’Souza, J. G'omez-Gardenes, J. Nagler, A. Arenas
The emergence of large-scale connectivity and synchronization are crucial to the structure, function and failure of many complex socio-technical networks. Thus, there is great interest in analyzing phase transitions to large-scale connectivity and to global synchronization, including how to enhance or delay the onset. These phenomena are traditionally studied as second-order phase transitions where, at the critical threshold, the order parameter increases rapidly but continuously. In 2009, an extremely abrupt transition was found for a network growth process where links compete for addition in an attempt to delay percolation. This observation of ‘explosive percolation’ was ultimately revealed to be a continuous transition in the thermodynamic limit, yet with very atypical finite-size scaling, and it started a surge of work on explosive phenomena and their consequences. Many related models are now shown to yield discontinuous percolation transitions and even hybrid transitions. Explosive percolation enables many other features such as multiple giant components, modular structures, discrete scale invariance and non-self-averaging, relating to properties found in many real phenomena such as explosive epidemics, electric breakdowns and the emergence of molecular life. Models of explosive synchronization provide an analytic framework for the dynamics of abrupt transitions and reveal the interplay between the distribution in natural frequencies and the network structure, with applications ranging from epileptic seizures to waking from anesthesia. Here we review the vast literature on explosive phenomena in networked systems and synthesize the fundamental connections between models and survey the application areas. We attempt to classify explosive phenomena based on underlying mechanisms and to provide a coherent overview and perspective for future research to address the many vital questions that remained unanswered.
{"title":"Explosive phenomena in complex networks","authors":"R. D’Souza, J. G'omez-Gardenes, J. Nagler, A. Arenas","doi":"10.1080/00018732.2019.1650450","DOIUrl":"https://doi.org/10.1080/00018732.2019.1650450","url":null,"abstract":"The emergence of large-scale connectivity and synchronization are crucial to the structure, function and failure of many complex socio-technical networks. Thus, there is great interest in analyzing phase transitions to large-scale connectivity and to global synchronization, including how to enhance or delay the onset. These phenomena are traditionally studied as second-order phase transitions where, at the critical threshold, the order parameter increases rapidly but continuously. In 2009, an extremely abrupt transition was found for a network growth process where links compete for addition in an attempt to delay percolation. This observation of ‘explosive percolation’ was ultimately revealed to be a continuous transition in the thermodynamic limit, yet with very atypical finite-size scaling, and it started a surge of work on explosive phenomena and their consequences. Many related models are now shown to yield discontinuous percolation transitions and even hybrid transitions. Explosive percolation enables many other features such as multiple giant components, modular structures, discrete scale invariance and non-self-averaging, relating to properties found in many real phenomena such as explosive epidemics, electric breakdowns and the emergence of molecular life. Models of explosive synchronization provide an analytic framework for the dynamics of abrupt transitions and reveal the interplay between the distribution in natural frequencies and the network structure, with applications ranging from epileptic seizures to waking from anesthesia. Here we review the vast literature on explosive phenomena in networked systems and synthesize the fundamental connections between models and survey the application areas. We attempt to classify explosive phenomena based on underlying mechanisms and to provide a coherent overview and perspective for future research to address the many vital questions that remained unanswered.","PeriodicalId":7373,"journal":{"name":"Advances in Physics","volume":"68 1","pages":"123 - 223"},"PeriodicalIF":0.0,"publicationDate":"2019-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/00018732.2019.1650450","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49153517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-04-03DOI: 10.1080/00018732.2019.1590295
Hengxing Xu, Miaosheng Wang, Zhi-Gang Yu, Kai Wang, Bin Hu
Magnetic field can influence photoluminescence, electroluminescence, photocurrent, injection current, and dielectric constant in organic materials, organic–inorganic hybrids, and nanoparticles at room temperature by re-distributing spin populations, generating emerging phenomena including magneto-photoluminescence, magneto-electroluminescence, magneto-photocurrent, magneto-electrical current, and magneto-dielectrics. These so-called intrinsic magnetic field effects (MFEs) can be observed in linear and non-linear regimes under one-photon and two-photon excitations in both low- and high-orbital materials. On the other hand, spin injection can be realized to influence spin-dependent excited states and electrical conduction via organic/ferromagnetic hybrid interface, leading to extrinsic MFEs. In last decades, MFEs have been serving as a unique experimental tool to reveal spin-dependent processes in excited states, electrical transport, and polarization in light-emitting diodes, solar cells, memories, field-effect transistors, and lasing devices. Very recently, they provide critical understanding on the operating mechanisms in advanced organic optoelectronic materials such as thermally activated delayed fluorescence light-emitting materials, non-fullerene photovoltaic bulk-heterojunctions, and organic–inorganic hybrid perovskites. While MFEs were initially realized by operating spin states in organic semiconducting materials with delocalized π electrons under negligible orbital momentum, recent studies indicate that MFEs can also be achieved under strong orbital momentum and Rashba effect in light emission, photovoltaics, and dielectric polarization. The transition of MFEs from the spin regime to the orbital regime creates new opportunities to versatilely control light-emitting, photovoltaic, lasing, and dielectric properties by using long-range Coulomb and short-range spin–spin interactions between orbitals. This article reviews recent progress on MFEs with the focus on elucidating fundamental mechanisms to control optical, electrical, optoelectronic, and polarization behaviors via spin-dependent excited states, electrical transport, and dielectric polarization. In this article both representative experimental results and mainstream theoretical models are presented to understand MFEs in the spin and orbital regimes for organic materials, nanoparticles, and organic–inorganic hybrids under linear and non-linear excitation regimes with emphasis on underlying spin-dependent processes.
{"title":"Magnetic field effects on excited states, charge transport, and electrical polarization in organic semiconductors in spin and orbital regimes","authors":"Hengxing Xu, Miaosheng Wang, Zhi-Gang Yu, Kai Wang, Bin Hu","doi":"10.1080/00018732.2019.1590295","DOIUrl":"https://doi.org/10.1080/00018732.2019.1590295","url":null,"abstract":"Magnetic field can influence photoluminescence, electroluminescence, photocurrent, injection current, and dielectric constant in organic materials, organic–inorganic hybrids, and nanoparticles at room temperature by re-distributing spin populations, generating emerging phenomena including magneto-photoluminescence, magneto-electroluminescence, magneto-photocurrent, magneto-electrical current, and magneto-dielectrics. These so-called intrinsic magnetic field effects (MFEs) can be observed in linear and non-linear regimes under one-photon and two-photon excitations in both low- and high-orbital materials. On the other hand, spin injection can be realized to influence spin-dependent excited states and electrical conduction via organic/ferromagnetic hybrid interface, leading to extrinsic MFEs. In last decades, MFEs have been serving as a unique experimental tool to reveal spin-dependent processes in excited states, electrical transport, and polarization in light-emitting diodes, solar cells, memories, field-effect transistors, and lasing devices. Very recently, they provide critical understanding on the operating mechanisms in advanced organic optoelectronic materials such as thermally activated delayed fluorescence light-emitting materials, non-fullerene photovoltaic bulk-heterojunctions, and organic–inorganic hybrid perovskites. While MFEs were initially realized by operating spin states in organic semiconducting materials with delocalized π electrons under negligible orbital momentum, recent studies indicate that MFEs can also be achieved under strong orbital momentum and Rashba effect in light emission, photovoltaics, and dielectric polarization. The transition of MFEs from the spin regime to the orbital regime creates new opportunities to versatilely control light-emitting, photovoltaic, lasing, and dielectric properties by using long-range Coulomb and short-range spin–spin interactions between orbitals. This article reviews recent progress on MFEs with the focus on elucidating fundamental mechanisms to control optical, electrical, optoelectronic, and polarization behaviors via spin-dependent excited states, electrical transport, and dielectric polarization. In this article both representative experimental results and mainstream theoretical models are presented to understand MFEs in the spin and orbital regimes for organic materials, nanoparticles, and organic–inorganic hybrids under linear and non-linear excitation regimes with emphasis on underlying spin-dependent processes.","PeriodicalId":7373,"journal":{"name":"Advances in Physics","volume":"68 1","pages":"121 - 49"},"PeriodicalIF":0.0,"publicationDate":"2019-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/00018732.2019.1590295","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46794352","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-01-02DOI: 10.1080/00018732.2019.1599554
P. Söderlind, A. Landa, B. Sadigh
We review developments in the theoretical description and understanding of plutonium in terms of a metal with itinerant (band) 5f electrons. Within this picture most facets of this remarkable and anomalous material are accurately described by first-principle, parameter-free, density-functional-theory (DFT) calculations. We show that the model explains plutonium’s phase stability, elasticity, lattice vibrations, electronic structure, alloy properties, and magnetism. Fluctuations are addressed by means of constrained DFT calculations and new light is shed on the anomalous properties of δ plutonium, including explaining its negative thermal expansion. Effects of alloying and point defects in plutonium are also addressed. It is further emphasized that strong electron correlations, originating from a large intra-atomic Coulomb repulsion (∼4 eV) of the 5f electrons, that has often been assumed for plutonium in the literature, is inconsistent with the experimental phase diagram of plutonium.
{"title":"Density-functional theory for plutonium","authors":"P. Söderlind, A. Landa, B. Sadigh","doi":"10.1080/00018732.2019.1599554","DOIUrl":"https://doi.org/10.1080/00018732.2019.1599554","url":null,"abstract":"We review developments in the theoretical description and understanding of plutonium in terms of a metal with itinerant (band) 5f electrons. Within this picture most facets of this remarkable and anomalous material are accurately described by first-principle, parameter-free, density-functional-theory (DFT) calculations. We show that the model explains plutonium’s phase stability, elasticity, lattice vibrations, electronic structure, alloy properties, and magnetism. Fluctuations are addressed by means of constrained DFT calculations and new light is shed on the anomalous properties of δ plutonium, including explaining its negative thermal expansion. Effects of alloying and point defects in plutonium are also addressed. It is further emphasized that strong electron correlations, originating from a large intra-atomic Coulomb repulsion (∼4 eV) of the 5f electrons, that has often been assumed for plutonium in the literature, is inconsistent with the experimental phase diagram of plutonium.","PeriodicalId":7373,"journal":{"name":"Advances in Physics","volume":"68 1","pages":"1 - 47"},"PeriodicalIF":0.0,"publicationDate":"2019-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/00018732.2019.1599554","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43139593","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Laura B Oswald, Judy Guitelman, Diana Buitrago, Joanna Buscemi, Francisco Iacobelli, Alejandra Perez-Tamayo, Frank Penedo, Betina Yanez
Compared with non-Latina White breast cancer survivors (BCS), Latina BCS have poorer health-related quality of life and greater psychosocial needs. However, Latinas are less engaged in clinical research owing to barriers including less access to health-related information, less awareness of clinical trials, and practical barriers (e.g., competing time demands). Latina BCS are in need of educational and health-related resources that are culturally informed, scalable, and accessible. In 2015, the Chicago Cancer Health Equity Collaborative (ChicagoCHEC), a National Cancer Institute research collaborative, and ALAS-WINGS, a community organization providing educational and supportive resources to Latina BCS, partnered to develop My Guide. My Guide is a smartphone application-based intervention for Latina BCS designed to improve health-related quality of life (HRQOL). This article summarizes the experiences of ChicagoCHEC and ALAS-WINGS throughout the community-engaged research (CEnR) partnership. Using existing relationships in community and academic settings via CEnR provides an ideal starting point for tailoring resources to Latina BCS and engaging Latina BCS in health-related research.
{"title":"Community Perspectives: Developing and Implementing a Smartphone Intervention for Latina Breast Cancer Survivors in Chicago.","authors":"Laura B Oswald, Judy Guitelman, Diana Buitrago, Joanna Buscemi, Francisco Iacobelli, Alejandra Perez-Tamayo, Frank Penedo, Betina Yanez","doi":"10.1353/cpr.2019.0046","DOIUrl":"10.1353/cpr.2019.0046","url":null,"abstract":"<p><p>Compared with non-Latina White breast cancer survivors (BCS), Latina BCS have poorer health-related quality of life and greater psychosocial needs. However, Latinas are less engaged in clinical research owing to barriers including less access to health-related information, less awareness of clinical trials, and practical barriers (e.g., competing time demands). Latina BCS are in need of educational and health-related resources that are culturally informed, scalable, and accessible. In 2015, the Chicago Cancer Health Equity Collaborative (ChicagoCHEC), a National Cancer Institute research collaborative, and ALAS-WINGS, a community organization providing educational and supportive resources to Latina BCS, partnered to develop My Guide. My Guide is a smartphone application-based intervention for Latina BCS designed to improve health-related quality of life (HRQOL). This article summarizes the experiences of ChicagoCHEC and ALAS-WINGS throughout the community-engaged research (CEnR) partnership. Using existing relationships in community and academic settings via CEnR provides an ideal starting point for tailoring resources to Latina BCS and engaging Latina BCS in health-related research.</p>","PeriodicalId":7373,"journal":{"name":"Advances in Physics","volume":"53 1","pages":"131-136"},"PeriodicalIF":0.8,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6894161/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80783800","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-12-24DOI: 10.1080/00018739400101475
J. Sauls
Abstract I review the principal theories that have been proposed for the superconducting phases of UPt3. The detailed H-T phase diagram places constraints on any theory for the multiple superconducting phases. Much attention has been given to the Ginzberg-Landau region of the phase diagram where the phase boundaries of three phases appear to meet at a tetracritical point. It has been argued that the existence of a tetracritical point for all field orientations eliminates the two-dimensional (2D) orbital representations coupled to a symmetry-breaking field (SBF) as a viable theory of these phases and favours either a theory based on two primary order parameters belonging to different irreducible representations that are accidentally degenerate, as described by Chen and Garg 1993, or a spin-triplet, orbital one-dimensional representation with non spin-orbit coupling in the pairing channel, as described by Machida and Ozaki 1991. I comment on the limitations of the models proposed so far for the superconduct...
{"title":"The order parameter for the superconducting phases of UPt3","authors":"J. Sauls","doi":"10.1080/00018739400101475","DOIUrl":"https://doi.org/10.1080/00018739400101475","url":null,"abstract":"Abstract I review the principal theories that have been proposed for the superconducting phases of UPt3. The detailed H-T phase diagram places constraints on any theory for the multiple superconducting phases. Much attention has been given to the Ginzberg-Landau region of the phase diagram where the phase boundaries of three phases appear to meet at a tetracritical point. It has been argued that the existence of a tetracritical point for all field orientations eliminates the two-dimensional (2D) orbital representations coupled to a symmetry-breaking field (SBF) as a viable theory of these phases and favours either a theory based on two primary order parameters belonging to different irreducible representations that are accidentally degenerate, as described by Chen and Garg 1993, or a spin-triplet, orbital one-dimensional representation with non spin-orbit coupling in the pairing channel, as described by Machida and Ozaki 1991. I comment on the limitations of the models proposed so far for the superconduct...","PeriodicalId":7373,"journal":{"name":"Advances in Physics","volume":"43 1","pages":"113-141"},"PeriodicalIF":0.0,"publicationDate":"2018-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/00018739400101475","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41834249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-12-12DOI: 10.1080/00018732.2019.1695875
R. Jestädt, M. Ruggenthaler, Micael J. T. Oliveira, Á. Rubio, H. Appel
In recent years significant experimental advances in nano-scale fabrication techniques and in available light sources have opened the possibility to study a vast set of novel light-matter interaction scenarios, including strong coupling cases. In many situations nowadays, classical electromagnetic modeling is insufficient as quantum effects, both in matter and light, start to play an important role. Instead, a fully self-consistent and microscopic coupling of light and matter becomes necessary. We provide here a critical review of current approaches for electromagnetic modeling, highlighting their limitations. We show how to overcome these limitations by introducing the theoretical foundations and the implementation details of a density-functional approach for coupled photons, electrons, and effective nuclei in non-relativistic quantum electrodynamics. Starting point of the formalism is a generalization of the Pauli–Fierz field theory for which we establish a one-to-one correspondence between external fields and internal variables. Based on this correspondence, we introduce a Kohn-Sham construction which provides a computationally feasible approach for ab-initio light-matter interactions. In the mean-field limit, the formalism reduces to coupled Ehrenfest–Maxwell–Pauli–Kohn–Sham equations. We present an implementation of the approach in the real-space real-time code Octopus using the Riemann–Silberstein formulation of classical electrodynamics to rewrite Maxwell's equations in Schrödinger form. This allows us to use existing very efficient time-evolution algorithms developed for quantum-mechanical systems also for Maxwell's equations. We show how to couple the time-evolution of the electromagnetic fields self-consistently with the quantum time-evolution of the electrons and nuclei. This approach is ideally suited for applications in nano-optics, nano-plasmonics, (photo) electrocatalysis, light-matter coupling in 2D materials, cases where laser pulses carry orbital angular momentum, or light-tailored chemical reactions in optical cavities just to name but a few.
{"title":"Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications","authors":"R. Jestädt, M. Ruggenthaler, Micael J. T. Oliveira, Á. Rubio, H. Appel","doi":"10.1080/00018732.2019.1695875","DOIUrl":"https://doi.org/10.1080/00018732.2019.1695875","url":null,"abstract":"In recent years significant experimental advances in nano-scale fabrication techniques and in available light sources have opened the possibility to study a vast set of novel light-matter interaction scenarios, including strong coupling cases. In many situations nowadays, classical electromagnetic modeling is insufficient as quantum effects, both in matter and light, start to play an important role. Instead, a fully self-consistent and microscopic coupling of light and matter becomes necessary. We provide here a critical review of current approaches for electromagnetic modeling, highlighting their limitations. We show how to overcome these limitations by introducing the theoretical foundations and the implementation details of a density-functional approach for coupled photons, electrons, and effective nuclei in non-relativistic quantum electrodynamics. Starting point of the formalism is a generalization of the Pauli–Fierz field theory for which we establish a one-to-one correspondence between external fields and internal variables. Based on this correspondence, we introduce a Kohn-Sham construction which provides a computationally feasible approach for ab-initio light-matter interactions. In the mean-field limit, the formalism reduces to coupled Ehrenfest–Maxwell–Pauli–Kohn–Sham equations. We present an implementation of the approach in the real-space real-time code Octopus using the Riemann–Silberstein formulation of classical electrodynamics to rewrite Maxwell's equations in Schrödinger form. This allows us to use existing very efficient time-evolution algorithms developed for quantum-mechanical systems also for Maxwell's equations. We show how to couple the time-evolution of the electromagnetic fields self-consistently with the quantum time-evolution of the electrons and nuclei. This approach is ideally suited for applications in nano-optics, nano-plasmonics, (photo) electrocatalysis, light-matter coupling in 2D materials, cases where laser pulses carry orbital angular momentum, or light-tailored chemical reactions in optical cavities just to name but a few.","PeriodicalId":7373,"journal":{"name":"Advances in Physics","volume":"68 1","pages":"225 - 333"},"PeriodicalIF":0.0,"publicationDate":"2018-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/00018732.2019.1695875","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43969888","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-10-02DOI: 10.1080/00018732.2019.1594094
Dan-Wei Zhang, Yan-Qing Zhu, Y. Zhao, Hui Yan, Shi-Liang Zhu
This is an introductory review of the physics of topological quantum matter with cold atoms. Topological quantum phases, originally discovered and investigated in condensed matter physics, have recently been explored in a range of different systems, which produced both fascinating physics findings and exciting opportunities for applications. Among the physical systems that have been considered to realize and probe these intriguing phases, ultracold atoms become promising platforms due to their high flexibility and controllability. Quantum simulation of topological phases with cold atomic gases is a rapidly evolving field, and recent theoretical and experimental developments reveal that some toy models originally proposed in condensed matter physics have been realized with this artificial quantum system. The purpose of this article is to introduce these developments. The article begins with a tutorial review of topological invariants and the methods to control parameters in the Hamiltonians of neutral atoms. Next, topological quantum phases in optical lattices are introduced in some detail, especially several celebrated models, such as the Su–Schrieffer–Heeger model, the Hofstadter–Harper model, the Haldane model and the Kane–Mele model. The theoretical proposals and experimental implementations of these models are discussed. Notably, many of these models cannot be directly realized in conventional solid-state experiments. The newly developed methods for probing the intrinsic properties of the topological phases in cold-atom systems are also reviewed. Finally, some topological phases with cold atoms in the continuum and in the presence of interactions are discussed, and an outlook on future work is given.
{"title":"Topological quantum matter with cold atoms","authors":"Dan-Wei Zhang, Yan-Qing Zhu, Y. Zhao, Hui Yan, Shi-Liang Zhu","doi":"10.1080/00018732.2019.1594094","DOIUrl":"https://doi.org/10.1080/00018732.2019.1594094","url":null,"abstract":"This is an introductory review of the physics of topological quantum matter with cold atoms. Topological quantum phases, originally discovered and investigated in condensed matter physics, have recently been explored in a range of different systems, which produced both fascinating physics findings and exciting opportunities for applications. Among the physical systems that have been considered to realize and probe these intriguing phases, ultracold atoms become promising platforms due to their high flexibility and controllability. Quantum simulation of topological phases with cold atomic gases is a rapidly evolving field, and recent theoretical and experimental developments reveal that some toy models originally proposed in condensed matter physics have been realized with this artificial quantum system. The purpose of this article is to introduce these developments. The article begins with a tutorial review of topological invariants and the methods to control parameters in the Hamiltonians of neutral atoms. Next, topological quantum phases in optical lattices are introduced in some detail, especially several celebrated models, such as the Su–Schrieffer–Heeger model, the Hofstadter–Harper model, the Haldane model and the Kane–Mele model. The theoretical proposals and experimental implementations of these models are discussed. Notably, many of these models cannot be directly realized in conventional solid-state experiments. The newly developed methods for probing the intrinsic properties of the topological phases in cold-atom systems are also reviewed. Finally, some topological phases with cold atoms in the continuum and in the presence of interactions are discussed, and an outlook on future work is given.","PeriodicalId":7373,"journal":{"name":"Advances in Physics","volume":"67 1","pages":"253 - 402"},"PeriodicalIF":0.0,"publicationDate":"2018-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/00018732.2019.1594094","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42582933","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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