Physical Review B最新文献

{"title":"Effects of a magnetic cobalt STM tip on the electronic, magnetic, and spin-dependent transport properties of cobalt phthalocyanine junctions on a Co(111) substrate","authors":"Ali Jaafar, Tarek Khalil","doi":"10.1103/physrevb.111.035442","DOIUrl":"https://doi.org/10.1103/physrevb.111.035442","url":null,"abstract":"The effect of a magnetic scanning tunneling microscopy (STM) tip on electronic, magnetic, and electronic transport properties through the molecular junction STM-tip-Co/CoPc/Co(111) was investigated by mean of electronic structure calculations. The spin transition was studied by varying the distance (passing from the tunneling regime to the contact regime) between the tip and the CoPc molecule in both parallel and antiparallel configurations. Our calculation shows that the transition of spin of the Co atom of a CoPc molecule has led to a change of the sign of the . It is also shown that the characteristic has been influenced by this spin transition of the central atom of the CoPc molecule. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"12 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143027141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}

{"title":"Electric field induced second-order anomalous Hall transport in unconventional Rashba systems","authors":"Ankita Bhattacharya, Annica M. Black-Schaffer","doi":"10.1103/physrevb.111.l041202","DOIUrl":"https://doi.org/10.1103/physrevb.111.l041202","url":null,"abstract":"Nonlinear responses in transport experiments may unveil information and generate new phenomena in materials that are not accessible at linear order due to symmetry constraints. While the linear anomalous Hall response strictly requires the absence of time-reversal symmetry, the second-order, thus nonlinear, Hall response needs broken inversion symmetry. Recently, much effort has been made to obtain a second-order Hall voltage in response to a longitudinal ac driving current, both to obtain information about band geometric quantities and for its useful technological applications, including rectification and frequency doubling. Typically, additional material engineering is required in noncentrosymmetric systems to obtain second-order responses since it obeys a stringent crystallographic symmetry constraint. To circumvent this, an alternative route is to apply a dc electric field. In this Letter, we uncover an electric field induced second-order anomalous Hall effect in inversion-broken systems possessing experimentally accessible unconventional Rashba bands. We establish that the quantum metric, a geometrical feature of electronic wave functions providing information on the nontrivial structure of Bloch bands, is responsible for providing the nonlinear Hall response. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"46 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143026401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}

{"title":"Cavity-enhanced charge-driven feedback loop in single quantum dot photocurrent spectroscopy","authors":"M. Hohn, M. Schmidt, S. Höfling, S. Reitzenstein","doi":"10.1103/physrevb.111.035306","DOIUrl":"https://doi.org/10.1103/physrevb.111.035306","url":null,"abstract":"This study investigates a charge-driven feedback loop on single quantum dots (QDs) embedded in micropillar cavities under electrical readout. The coupled quantum–dot–microcavity system demonstrates a significant reduction in hysteresis under temperature sweep when the QD is in resonance with the cavity mode. To describe the experimental results, we develop a feedback model for the photocurrent response which incorporates a quadratic Stark shift to accurately fit the observed asymmetries and hysteresis in the spectra. Supported by this model, we attribute the observed reduction in hysteresis to an interplay between cavity-enhanced effective excitation power and the competition between radiative and nonradiative recombination by cavity quantum electrodynamics effects in the Purcell regime. This work provides important insights that can guide future optimization of QD-based devices for applications in quantum technologies. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"15 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143026407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}

{"title":"Krylov complexity and chaos in deformed Sachdev-Ye-Kitaev models","authors":"Shira Chapman, Saskia Demulder, Damián A. Galante, Sameer U. Sheorey, Osher Shoval","doi":"10.1103/physrevb.111.035141","DOIUrl":"https://doi.org/10.1103/physrevb.111.035141","url":null,"abstract":"Krylov complexity has recently been proposed as a quantum probe of chaos. The Krylov exponent characterizing the exponential growth of Krylov complexity is conjectured to upper-bound the Lyapunov exponent. We compute the Krylov and the Lyapunov exponents in the Sachdev-Ye-Kitaev model and in some of its deformations. We do this analysis both at infinite and finite temperatures, in models where the number of fermionic interactions is both finite and infinite. We consider deformations that interpolate between two regions of near-maximal chaos and deformations that become nearly integrable at low temperatures. In all cases, we find that the Krylov exponent upper-bounds the Lyapunov one. However, we find that while the Lyapunov exponent can have nonmonotonic behavior as a function of temperature, in all studied examples the Krylov exponent behaves monotonically. For instance, we find models where the Lyapunov exponent goes to zero at low temperatures, while the Krylov exponent saturates to its maximal bound. We speculate on the possibility that this monotonicity might be a generic feature of the Krylov exponent in quantum systems evolving under unitary evolution. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"74 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143020770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}

{"title":"Phase transitions in H2−HD−D2 mixtures up to 350 GPa","authors":"Haian Xu, Wan Xu, Pu Wang, Lin Liu, Xiao-Di Liu, Eugene Gregoryanz","doi":"10.1103/physrevb.111.024109","DOIUrl":"https://doi.org/10.1103/physrevb.111.024109","url":null,"abstract":"Utilizing the high-pressure low-temperature Raman and optical transmission/absorption spectroscopies, we have mapped out the phase diagram of H</a:mi>2</a:mn></a:msub></a:math>-HD-<c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:msub><c:mi mathvariant=\"normal\">D</c:mi><c:mn>2</c:mn></c:msub></c:math> alloy with the initial H:D concentration 50:50 up to 350 GPa between 10 and 300 K. We followed the phase lines between all known solid phases [I, II, III, IV, and <e:math xmlns:e=\"http://www.w3.org/1998/Math/MathML\"><e:msup><e:mrow><e:mi>IV</e:mi></e:mrow><e:mo>′</e:mo></e:msup></e:math> (<f:math xmlns:f=\"http://www.w3.org/1998/Math/MathML\"><f:mrow><f:mi>IV</f:mi><f:mo>+</f:mo><f:mi mathvariant=\"normal\">V</f:mi></f:mrow></f:math>)] of pure <h:math xmlns:h=\"http://www.w3.org/1998/Math/MathML\"><h:msub><h:mi mathvariant=\"normal\">H</h:mi><h:mn>2</h:mn></h:msub></h:math> and <j:math xmlns:j=\"http://www.w3.org/1998/Math/MathML\"><j:msub><j:mi mathvariant=\"normal\">D</j:mi><j:mn>2</j:mn></j:msub></j:math> constraining their locations in the wide space. We trace the phase boundary separating phases III and <l:math xmlns:l=\"http://www.w3.org/1998/Math/MathML\"><l:mrow><l:mi>IV</l:mi><l:mo>(</l:mo><l:msup><l:mrow><l:mi>IV</l:mi></l:mrow><l:mo>′</l:mo></l:msup></l:mrow></l:math>)/V demonstrating that this phase line has a steep negative slope (<m:math xmlns:m=\"http://www.w3.org/1998/Math/MathML\"><m:mrow><m:mo>−</m:mo><m:mn>0.95</m:mn></m:mrow></m:math> K/GPa), which becomes shallower at above 250 GPa (<n:math xmlns:n=\"http://www.w3.org/1998/Math/MathML\"><n:mrow><n:mo>−</n:mo><n:mn>0.55</n:mn></n:mrow></n:math> K/GPa). The phase line follows the trend observed in the pure species. Additionally, we find that the band gap of the mixture between 300 and 360 GPa is close to those of the pure species suggesting that alloying one isotope by another would not significantly shift the metallization pressure. These observations imply that hydrogen deuteride (HD) has very similar properties to those exhibited by the pure species. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"9 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143020861","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}

{"title":"Monte Carlo simulation of spin correlations in organic semiconductors with an arbitrary relation between hopping rates and spin dynamics","authors":"I. V. Tolkachev, Y. M. Beltukov, A. V. Shumilin","doi":"10.1103/physrevb.111.014202","DOIUrl":"https://doi.org/10.1103/physrevb.111.014202","url":null,"abstract":"We present a kinetic Monte Carlo (KMC) algorithm designed to study spin correlation phenomena in organic semiconductors including the effect of a magnetic field on electroluminescence and organic magnetoresistance. It allows for an arbitrary relation between hopping rates and spin-precession frequencies, and it incorporates an intermediate averaging procedure to model the spin relaxation within a single KMC simulation run. Our results demonstrate that even a small fraction of hops occurring faster than spin precession can significantly impact the width of the magnetic field dependence of the electroluminescence, which is typically associated with the strength of the hyperfine interaction between electron and nuclear spins. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"32 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142992125","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}

{"title":"Efficient post-selection in light cone correlations of monitored quantum circuits","authors":"Jimin Li, Robert L. Jack, Bruno Bertini, Juan P. Garrahan","doi":"10.1103/physrevb.111.024309","DOIUrl":"https://doi.org/10.1103/physrevb.111.024309","url":null,"abstract":"We consider how to target evolution conditioned on atypical measurement outcomes in monitored quantum circuits, i.e., the post-selection problem. We show that for a simple class of measurement schemes, post-selected light cone dynamical correlation functions can be obtained efficiently from the averaged correlations of a different unitary circuit. This connects rare measurement outcomes in one circuit to typical outcomes in another one. We derive conditions for the existence of this rare-to-typical mapping in brickwork quantum circuits made of XYZ gates. We illustrate these general results with a model system that exhibits a dynamical crossover (a smoothed dynamical transition) in event statistics, and discuss extensions to more general dynamical correlations. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"120 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142992131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}

{"title":"Topological orders beyond topological quantum field theories","authors":"P. Vojta, G. Ortiz, Z. Nussinov","doi":"10.1103/physrevb.111.045142","DOIUrl":"https://doi.org/10.1103/physrevb.111.045142","url":null,"abstract":"Systems displaying topological quantum order feature robust characteristics that are very attractive to quantum computing schemes. Topological quantum field theories have proven to be powerful in capturing the quintessential attributes of systems displaying topological order including, in particular, their anyon excitations. Here, we investigate systems that lie outside this common purview, and present a rich class of models exhibiting topological orders with distance-dependent interactions between anyons. As we illustrate, in some instances, . This leads to behaviors not typically described by topological quantum field theories. We examine these models by performing exact dualities to systems displaying conventional (i.e., Landau) orders. Our approach enables a general method for mapping Landau-type theories to dual models with topological order, while preserving the same spatial dimension. The low-energy subspaces of our models can be made more resilient to thermal effects than those of surface codes. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"141 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142992185","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}

{"title":"Electronic structure and properties of trapped holes in crystalline and amorphous Ga2O3","authors":"Chaiyawat Kaewmeechai, Jack Strand, Alexander Shluger","doi":"10.1103/physrevb.111.035203","DOIUrl":"https://doi.org/10.1103/physrevb.111.035203","url":null,"abstract":"Structure and electronic properties of self-trapped holes were studied in both crystalline and amorphous Ga</a:mi>2</a:mn></a:msub>O</a:mi>3</a:mn></a:msub></a:mrow></a:math> using density functional theory (DFT) and the nonlocal PBE0-TC-LRC density functional. Amorphous (a) <c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:mrow><c:msub><c:mi>Ga</c:mi><c:mn>2</c:mn></c:msub><c:msub><c:mi mathvariant=\"normal\">O</c:mi><c:mn>3</c:mn></c:msub></c:mrow></c:math> structures were generated using classical molecular dynamics and the melt-quench technique and further optimized using DFT. They exhibit an average density of <e:math xmlns:e=\"http://www.w3.org/1998/Math/MathML\"><e:mrow><e:mn>4.84</e:mn><e:mspace width=\"4pt\"/><e:mi mathvariant=\"normal\">g</e:mi><e:mo>/</e:mo><e:msup><e:mrow><e:mi>cm</e:mi></e:mrow><e:mn>3</e:mn></e:msup></e:mrow></e:math> and band gap around 4.3 eV. Calculations predict deep hole trapping in crystalline and amorphous phases with the hole-trapping energies in the amorphous structures being deeper than those found in the crystalline structure. In <h:math xmlns:h=\"http://www.w3.org/1998/Math/MathML\"><h:mrow><h:mi mathvariant=\"normal\">a</h:mi><h:mtext>−</h:mtext><h:msub><h:mi>Ga</h:mi><h:mn>2</h:mn></h:msub><h:msub><h:mi mathvariant=\"normal\">O</h:mi><h:mn>3</h:mn></h:msub></h:mrow></h:math>, trapped holes are localized around low-coordinated oxygen atoms (two or three coordinated). We predict the formation of stable hole bipolarons in both the crystalline and amorphous phases facilitated by the formation of O–O bonds with binding energies about 0.2 eV. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"23 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142992133","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}

{"title":"Hydrogen and deuterium tunneling in niobium","authors":"Abdulaziz Abogoda, W. A. Shelton, I. Vekhter, J. A. Sauls","doi":"10.1103/physrevb.111.l020103","DOIUrl":"https://doi.org/10.1103/physrevb.111.l020103","url":null,"abstract":"We use density functional methods to identify the atomic configurations of H and D atoms trapped by O impurities embedded in bulk Nb. The O atoms are located at the octahedral position in the Nb body-centered cubic (BCC) lattice, and H (D) atoms tunnel between two degenerate tetrahedral sites separated by a mirror plane. Using nudged elastic band (NEB) methods, we calculate the double-well potential for O-H and O-D impurities and the wave functions and tunnel splittings for H and D atoms. Our results agree with those obtained from analysis of heat capacity and neutron scattering measurements on Nb with low concentrations of O-H and O-D. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"32 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142992129","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}