keyword
https://read.qxmd.com/read/38648566/born-oppenheimer-molecular-dynamics-with-a-linear-combination-of-atomic-orbitals-and-hybrid-functionals-for-condensed-matter-simulations-made-possible-theory-and-performance-for-the-microcanonical-and-canonical-ensembles
#1
JOURNAL ARTICLE
Chiara Ribaldone, Silvia Casassa
The implementation of an original Born-Oppenheimer molecular dynamics module is presented, which is able to perform simulations of large and complex condensed phase systems for sufficiently long time scales at the level of density functional theory with hybrid functionals, in the microcanonical (NVE) and canonical (NVT) ensembles. The algorithm is fully integrated in the Crystal code, a program for quantum mechanical simulations of materials, whose peculiarity stems from the use of atom-centered basis functions within a linear combination of atomic orbitals to describe the wave function...
April 22, 2024: Journal of Chemical Theory and Computation
https://read.qxmd.com/read/38640920/effects-of-as8-structure-formation-on-the-surface-morphology-and-internal-microstructure-of-gaas-thin-films
#2
JOURNAL ARTICLE
Wenwen Tian, Qian Chen, Zhetian Bian, Yue Gao, Quan Xie, Tinghong Gao
Gallium arsenide (GaAs) materials have the advantages of high electron mobility, electron saturation drift rate, and other irreplaceable semiconducting properties. They play an important role in the electronics, solar and other fields. However, during GaAs film sedimentary growth, As atoms can undergo segregation to form As8 clusters because of the influence of external factors, which affect the surface morphology and internal structure of these films. In this study, a series of investigations on the deposition and growth of GaAs crystal films were performed...
April 19, 2024: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://read.qxmd.com/read/38632702/room-temperature-polariton-condensation-from-whispering-gallery-modes-in-cspbbr-3-microplatelets
#3
JOURNAL ARTICLE
Laura Polimeno, Annalisa Coriolano, Rosanna Mastria, Francesco Todisco, Milena De Giorgi, Antonio Fieramosca, Marco Pugliese, Carmela T Prontera, Aurora Rizzo, Luisa De Marco, Dario Ballarini, Giuseppe Gigli, Daniele Sanvitto
Room temperature (RT) polariton condensate holds exceptional promise for revolutionizing various fields of science and technology, encompassing optoelectronics devices to quantum information processing. Using perovskite materials, like all-inorganic CsPbBr3 single crystal, provides additional advantages, such as ease of synthesis, cost-effectiveness, and compatibility with existing semiconductor technologies. In this work, we show the formation of whispering gallery modes (WGM) in CsPbBr3 single crystals with controlled geometry, synthesized using a low-cost and efficient capillary bridge method...
April 17, 2024: Advanced Materials
https://read.qxmd.com/read/38626776/characterizing-an-effective-magnetic-field-during-asymmetric-creep-motion-of-dzyaloshinskii-domain-walls
#4
JOURNAL ARTICLE
Lai Jiang, Vincent Sokalski
Understanding the role of Landau Lifshitz Gilbert (LLG) dynamics in describing magnetic domain wall motion in the creep regime is complicated by the presence of static pinning, but has regained interest due to recently observed directional growth in thin films with significant interfacial Dzyaloshinskii-Moriya interaction (DMI). Here, we delve into this directional domain growth behaviour in Pt/Co/Ni-based multi-layers under the influence of combined longitudinal and perpendicular magnetic fields via Magneto-Optical Kerr Effect (MOKE) microscopy...
April 16, 2024: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://read.qxmd.com/read/38625198/what-kind-of-innovation-state-matters-for-social-justice-learning-from-poulantzas-and-going-beyond
#5
JOURNAL ARTICLE
Theo Papaioannou
In the twenty-first century, the notion of the state and its role in innovation and development have become dominant topics of theoretical and empirical inquiry. Although contemporary innovation theorists clearly unpack the myth of market fundamentalism in industrial policy and practice of neo-liberal states, they do not seem to explain precisely how come such states have been justified to play extensive roles in the economy. This paper provides a theoretical explanation by drawing lessons from Poulantzas' approach to the state and going beyond it to consider alternatives...
June 12, 2023: Rev Evol Polit Econ
https://read.qxmd.com/read/38622297/how-a-young-physicist-s-job-move-helped-argentina-join-the-atlas-collaboration
#6
Julie Gould
No abstract text is available yet for this article.
April 15, 2024: Nature
https://read.qxmd.com/read/38620069/selective-excitation-of-exciton-polariton-condensate-modes-in-an-annular-perovskite-microcavity
#7
JOURNAL ARTICLE
Zhenyu Xiong, Hao Wu, Yuanwen Cai, Xiaokun Zhai, Tong Liu, Baili Li, Tieling Song, Longfei Guo, Zhengliang Liu, Yifan Dong, Peicheng Liu, Yuan Ren
Exciton-polariton systems composed of a light-matter quasi-particle with a light effective mass easily realize Bose-Einstein condensation. In this work, we constructed an annular trap in a halide perovskite semiconductor microcavity and observed the spontaneous formation of symmetrical petal-shaped exciton-polariton condensation in the annular trap at room temperature. In our study, we found that the number of petals of the petal-shaped exciton-polariton condensates, which is decided by the orbital angular momentum, is dependent on the light intensity distribution...
April 15, 2024: Nano Letters
https://read.qxmd.com/read/38612655/what-is-the-hydrogen-bond-a-qft-qed-perspective
#8
REVIEW
Paolo Renati, Pierre Madl
In this paper we would like to highlight the problems of conceiving the "Hydrogen Bond" (HB) as a real short-range, directional, electrostatic, attractive interaction and to reframe its nature through the non-approximated view of condensed matter offered by a Quantum Electro-Dynamic (QED) perspective. We focus our attention on water, as the paramount case to show the effectiveness of this 40-year-old theoretical background, which represents water as a two-fluid system (where one of the two phases is coherent)...
March 29, 2024: International Journal of Molecular Sciences
https://read.qxmd.com/read/38612039/charge-transport-in-the-presence-of-correlations-and-disorder-organic-conductors-and-manganites
#9
REVIEW
Emil Tafra, Mario Basletić, Tomislav Ivek, Marko Kuveždić, Nikolina Novosel, Silvia Tomić, Bojana Korin-Hamzić, Matija Čulo
One of the most fascinating aspects of condensed matter is its ability to conduct electricity, which is particularly pronounced in conventional metals such as copper or silver. Such behavior stems from a strong tendency of valence electrons to delocalize in a periodic potential created by ions in the crystal lattice of a given material. In many advanced materials, however, this basic delocalization process of the valence electrons competes with various processes that tend to localize these very same valence electrons, thus driving the insulating behavior...
March 27, 2024: Materials
https://read.qxmd.com/read/38609455/composition-characteristics-and-treatment-technologies-of-condensable-particulate-matter-present-in-flue-gas-emitted-by-coking-plants-in-china
#10
JOURNAL ARTICLE
Chunyan Wang, Yuhong Du, Bo Yan, Yonggang Dong, Zhihui Zhao, Jinchao Shen, Mengxia Guo, Zhaochi Zhang
To study the total particulate matter (TPM) in flue gas emitted by coking plants, a sampling system that could be used to collect filterable particulate matter (FPM) and condensable particulate matter (CPM) was designed and developed based on Method 202 recommended by the U.S. Environmental Protection Agency in 2017 and HJ 836-2017 issued by China. Using this system, FPM and CPM in flue gas emitted by four coking furnaces named A, B, C, and D were tested in China. Further, 9 water-soluble ions, 20 elements, and organic matter present in the CPM were simultaneously examined to determine their formation mechanisms...
April 12, 2024: Scientific Reports
https://read.qxmd.com/read/38607109/bicontinuous-interfacially-jammed-emulsion-gels-bijels-preparation-control-strategies-and-derived-porous-materials
#11
REVIEW
Xingliang Shen, Meiwen Cao
Bicontinuous interfacially jammed emulsion gels, also known as Bijels, are a new type of soft condensed matter. Over the last decade, Bijels have attracted considerable attention because of their unique morphology, property, and broad application prospects. In the present review, we summarize the preparation methods and main control strategies of Bijels, focusing on the research progress and application of Bijels as templates for porous materials preparation in recent years. The potential future directions and applications of Bijels are also envisaged...
March 26, 2024: Nanomaterials
https://read.qxmd.com/read/38605674/dirac-cones-and-room-temperature-polariton-lasing-evidenced-in-an-organic-honeycomb-lattice
#12
JOURNAL ARTICLE
Simon Betzold, Johannes Düreth, Marco Dusel, Monika Emmerling, Antonina Bieganowska, Jürgen Ohmer, Utz Fischer, Sven Höfling, Sebastian Klembt
Artificial 1D and 2D lattices have emerged as a powerful platform for the emulation of lattice Hamiltonians, the fundamental study of collective many-body effects, and phenomena arising from non-trivial topology. Exciton-polaritons, bosonic part-light and part-matter quasiparticles, combine pronounced nonlinearities with the possibility of on-chip implementation. In this context, organic semiconductors embedded in microcavities have proven to be versatile candidates to study nonlinear many-body physics and bosonic condensation, and in contrast to most inorganic systems, they allow the use at ambient conditions since they host ultra-stable Frenkel excitons...
April 12, 2024: Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
https://read.qxmd.com/read/38604165/two-dimensional-monolayer-bisno-3-a-novel-wide-band-gap-semiconductor-with-high-stability-and-strong-ultraviolet-absorption
#13
JOURNAL ARTICLE
Hongbo Wu, Weizhen Meng, Chunhui Zhu, Zhixue Tian, Fengxian Ma, Yalong Jiao
The exploration of two-dimensional wide-band-gap semiconductors (WBGSs) holds significant scientific and technological importance in the field of condensed matter physics and is actively being pursued in optoelectronic research. In this study, we present the discovery of a novel WBGS, namely monolayer BiSnO3 , using first-principles calculations in conjunction with the quasi-particle G0W0 approximation. Our calculations confirm that monolayer BiSnO3 exhibits moderate cleavage energy, positive phonon modes, mechanical resilience, and high temperature resistance (up to 1000 K), which demonstrate its structural stability, flexibility, and potential for experimental realization...
April 11, 2024: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://read.qxmd.com/read/38604158/spin-resolved-counting-statistics-as-a-sensitive-probe-of-spin-correlation-in-transport-through-a-quantum-dot-spin-valve
#14
JOURNAL ARTICLE
Guanjian Hu, Jing Hu, Shikuan Wang, RuiQiang Li, Yiying Yan, Junyan Luo
We investigate the noise in spin transport through a single quantum dot (QD) tunnel coupled to ferromagnetic electrodes with noncollinear magnetizations. Based on a spin-resolved quantum master equation, auto- and cross-correlations of spin-resolved currents are analyzed to reveal the underlying spin transport dynamics and characteristics for various polarizations. We find the currents of majority and minority spins could be strongly autocorrelated despite uncorrelated charge trans fer. The interplay between tunnel coupling and the Coulomb interaction gives rise to an exchange magnetic field, leading to the precession of the accumulated spin in the QD...
April 11, 2024: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://read.qxmd.com/read/38603489/realization-of-an-atomic-quantum-hall-system-in-four-dimensions
#15
JOURNAL ARTICLE
Jean-Baptiste Bouhiron, Aurélien Fabre, Qi Liu, Quentin Redon, Nehal Mittal, Tanish Satoor, Raphael Lopes, Sylvain Nascimbene
Modern condensed matter physics relies on the concept of topology to classify matter, from quantum Hall systems to topological insulators. Engineered systems, benefiting from synthetic dimensions, can potentially give access to topological states predicted in dimensions D > 3. We report the realization of an atomic quantum Hall system evolving in four dimensions (4D), with two spatial dimensions and two synthetic ones encoded in the large spin of dysprosium atoms. We measure the nontrivial topological index of the ground band through a full characterization of the nonlinear electromagnetic response and observe the associated anisotropic hyperedge modes...
April 12, 2024: Science
https://read.qxmd.com/read/38600195/light-makes-atoms-behave-like-electromagnetic-coils
#16
Carl P Romao, Dominik M Juraschek
No abstract text is available yet for this article.
April 10, 2024: Nature
https://read.qxmd.com/read/38597335/recent-progress-on-topological-semimetal-iro-2-electronic-structures-synthesis-and-transport-properties
#17
REVIEW
T X Zhang, A L Coughlin, Chi-Ken Lu, J J Heremans, S X Zhang
5 d transition metal oxides, such as iridates, have attracted significant interest in condensed matter physics throughout the past decade owing to their fascinating physical properties that arise from intrinsically strong spin-orbit coupling (SOC) and its interplay with other interactions of comparable energy scales. Among the rich family of iridates, iridium dioxide (IrO2 ), a simple binary compound long known as a promising catalyst for water splitting, has recently been demonstrated to possess novel topological states and exotic transport properties...
April 10, 2024: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://read.qxmd.com/read/38597176/appearance-of-recalcitrant-dissolved-black-carbon-and-dissolved-organic-sulfur-in-river-waters-following-wildfire-events
#18
JOURNAL ARTICLE
Yanghui Xu, Xintu Wang, Qin Ou, Zhongbo Zhou, Jan Peter van der Hoek, Gang Liu
Increasing wildfire frequency, a consequence of global climate change, releases incomplete combustion byproducts such as aquatic pyrogenic dissolved organic matter (DOM) and black carbon (DBC) into waters, posing a threat to water security. In August 2022, a series of severe wildfires occurred in Chongqing, China. Samples from seven locations along the Yangtze and Jialing Rivers revealed DBC, quantified by the benzene poly(carboxylic acid) (BPCA) method, comprising 9.5-19.2% of dissolved organic carbon (DOC)...
April 10, 2024: Environmental Science & Technology
https://read.qxmd.com/read/38594258/quantum-simulation-of-the-bosonic-kitaev-chain
#19
JOURNAL ARTICLE
Jamal H Busnaina, Zheng Shi, Alexander McDonald, Dmytro Dubyna, Ibrahim Nsanzineza, Jimmy S C Hung, C W Sandbo Chang, Aashish A Clerk, Christopher M Wilson
Superconducting quantum circuits are a natural platform for quantum simulations of a wide variety of important lattice models describing topological phenomena, spanning condensed matter and high-energy physics. One such model is the bosonic analog of the well-known fermionic Kitaev chain, a 1D tight-binding model with both nearest-neighbor hopping and pairing terms. Despite being fully Hermitian, the bosonic Kitaev chain exhibits a number of striking features associated with non-Hermitian systems, including chiral transport and a dramatic sensitivity to boundary conditions known as the non-Hermitian skin effect...
April 9, 2024: Nature Communications
https://read.qxmd.com/read/38593836/crossed-andreev-re%C3%AF-ection-in-normal-superconductor-normal-junction-based-on-kekul%C3%A3-y-patterned-graphene
#20
JOURNAL ARTICLE
Xue-Si Li, Dong-Yan Liu, Zhao Jin, Chun-Lin He
We theoretically study the crossed Andreev reflection (CAR) of the normal mental-superconductor-normal mental (NSN) heterojunction based on Kekulé-Y patterned graphene with two doping types of the right region, i.e., nSn and nSp configurations. It is found that the enhanced CAR is more likely to occur in the nSp configuration rather than the nSn configuration. To be concrete, the almost perfect CAR occurs in a large range of incident angle in the single Dirac cone phase when the incident energy is inside the gap of the nonlinear band...
April 9, 2024: Journal of Physics. Condensed Matter: An Institute of Physics Journal
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