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Добірка наукової літератури з теми "Magnetic Susceptability - Quantum Monte Carlo Technique"

Автор: Grafiati

Опубліковано: 7 вересня 2023

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Статті в журналах з теми "Magnetic Susceptability - Quantum Monte Carlo Technique"

SHARMA, MEENAKSHI, KAMLESH KUMARI, and ISHWAR SINGH. "QUANTUM MONTE CARLO SIMULATION STUDY OF ONE-DIMENSIONAL PERIODIC ANDERSON MODEL." International Journal of Modern Physics B 13, no. 32 (December 30, 1999): 3927–42. http://dx.doi.org/10.1142/s0217979299004094.

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Many rare earth and actinide intermetallics, known as Heavy Fermion Systems, have recently been successfully described by the Periodic Anderson Model. We investigate, in this work, various electronic and magnetic properties of the one-dimensional Periodic Anderson model using path integral formulation along with the quantum Monte Carlo simulation technique. We have studied the singlet and triplet pairing correlation functions, nearest neighbor charge-density correlations, spin density correlations, local squared magnetic moment and probability of double occupancy of f-electrons, as a function of intra-atomic Coulomb interaction for various values of hybridization parameter and the temperatures.

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Sorella, S. "MONTE CARLO STUDY OF ONE HOLE IN A QUANTUM ANTIFERROMAGNET." International Journal of Modern Physics B 06, no. 05n06 (March 1992): 587–88. http://dx.doi.org/10.1142/s0217979292000360.

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Using the standard Quantum Monte Carlo technique for the Hubbard model, I present here a numerical investigation of the hole propagation in a Quantum Antiferromagnet. The calculation is very well stabilized, using selected sized systems and special use of the trial wavefunction that satisfy the “close shell condition” in presence of an arbitrarily weak Zeeman magnetic field, vanishing in the thermodynamic limit. It will be shown in a forthcoming publication1 that the presence of this magnetic field does not affect thermodynamic properties for the half filled system. Then I have used the same selected sizes for the one hole ground state. I have investigated the question of vanishing or nonvanishing quasiparticle weight, in order to clarify whether the Mott insulator should behave just as conventional insulator with an upper and lower Hubbard band. By comparing the present finite size scaling with several techniques predicting a finite quasiparticle weight (see Fig.1) the data seem more consistent with a vanishing quasiparticle weight, i.e. , as recently suggested by P.W. Anderson2 the Hubbard-Mott insulator should be characterized by non-trivial excitations which cannot be interpreted in a simple quasi-particle picture. However it cannot be excluded , based only on numerical grounds, that a very small but non vanishing quasiparticle weight should survive in the thermodynamic limit.

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Konev, Vitaly, Evgeny Vasinovich, Vasily Ulitko, Yury Panov, and Alexander Moskvin. "Unconventional phase transitions in strongly anisotropic 2D (pseudo)spin systems." EPJ Web of Conferences 185 (2018): 08006. http://dx.doi.org/10.1051/epjconf/201818508006.

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We have applied a generalized mean-field approach and quantum Monte-Carlo technique for the model 2D S = 1 (pseudo)spin system to find the ground state phase with its evolution under application of the (pseudo)magnetic field. The comparison of the two methods allows us to clearly demonstrate the role of quantum effects. Special attention is given to the role played by an effective single-ion anisotropy ("on-site correlation").

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LIN, HAI QING, and JUN LI. "Frustration Effects in the Two-Dimensional Hubbard Model." International Journal of Modern Physics B 13, no. 29n31 (December 20, 1999): 3552–54. http://dx.doi.org/10.1142/s0217979299003404.

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We discuss frustration effects by studying the two-dimensional Hubbard model with nearest-neighbor(t) and next-nearest-neighbor(t′) hoppings. We present results obtained by the mean-field solution, the exact diagonalization technique, and the quantum Monte Carlo simulations. Questions to be addressed are: (1) magnetic phase diagram; (2) domain formation; and (3) superconducting pair correlation functions.

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Querlioz, D., J. Saint-Martin, K. Huet, A. Bournel, V. Aubry-Fortuna, C. Chassat, S. Galdin-Retailleau, and P. Dollfus. "On the Ability of the Particle Monte Carlo Technique to Include Quantum Effects in Nano-MOSFET Simulation." IEEE Transactions on Electron Devices 54, no. 9 (September 2007): 2232–42. http://dx.doi.org/10.1109/ted.2007.902713.

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KOSINA, HANS. "NANOELECTRONIC DEVICE SIMULATION BASED ON THE WIGNER FUNCTION FORMALISM." International Journal of High Speed Electronics and Systems 17, no. 03 (September 2007): 475–84. http://dx.doi.org/10.1142/s0129156407004667.

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Coherent transport in mesoscopic devices is well described by the Schrödinger equation supplemented by open boundary conditions. When electronic devices are operated at room temperature, however, a realistic transport model needs to include carrier scattering. In this work the kinetic equation for the Wigner function is employed as a model for dissipative quantum transport. Carrier scattering is treated in an approximate manner through a Boltzmann collision operator. A Monte Carlo technique for the solution of this kinetic equation has been developed, based on an interpretation of the Wigner potential operator as a generation term for numerical particles. Including a multi-valley semiconductor model and a self-consistent iteration scheme, the described Monte Carlo simulator can be used for routine device simulations. Applications to single barrier and double barrier structures are presented. The limitations of the numerical Wigner function approach are discussed.

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Zhao, Yang, Fengyu Qian, Faquir Jain, and Lei Wang. "Quantum-Dot Transistor Based Multi-Bit Multiplier Unit for In-Memory Computing." International Journal of High Speed Electronics and Systems 29, no. 01n04 (March 2020): 2040007. http://dx.doi.org/10.1142/s0129156420400078.

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In-memory computing is an emerging technique to fulfill the fast growing demand for high-performance data processing. This technique provides fast processing and high throughput by accessing data stored in the memory array rather than dealing with complicated operation and data movement on hard drive. For data processing, the most important computation is dot product, which is also the core computation for applications such as deep learning neuron networks, machine learning, etc. As multiplication is the key function in dot product, it is critical to improve its performance and achieve faster memory processing. In this paper, we present a design with the ability to perform in-memory multi-bit multiplications. The proposed design is implemented by using quantum-dot transistors, which enable multi-bit computations in the memory cell. Experimental results demonstrate that the proposed design provides reliable in-memory multi-bit multiplications with high density and high energy efficiency. Statistical analysis is performed using Monte Carlo simulations to investigate the process variations and error effects.

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BISHOP, R. F., and D. J. J. FARNELL. "AB INITIO CALCULATIONS FOR THE SQUARE-LATTICE ANISOTROPIC HEISENBERG MODEL." International Journal of Modern Physics B 13, no. 05n06 (March 10, 1999): 709–19. http://dx.doi.org/10.1142/s0217979299000606.

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Interest in lattice quantum spin systems as models of quantum magnets has increased with the discovery of new and interesting magnetic materials. Here we use a well-known technique of quantum many-body theory, namely the coupled-cluster method (CCM), to investigate the nearest-neighbour, spin-½, anisotropic Heisenberg model on the square lattice. Ground-state expectation values for quantities such as the ground-state energy and the sublattice magnetisation are determined to an accuracy comparable with that of the best of other available techniques including Monte Carlo methods. In order to demonstrate this point we present results for various values of the anisotropy parameter, including those for the isotropic Heisenberg model and the isotropic XY model. We show that it is now possible to determine the presence and position of the quantum phase transitions using ab initio CCM calculations, and furthermore that we can accurately predict the critical behaviour at these points.

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KRÜGER, SVEN E., DAMIAN J. J. FARNELL, and JOHANNES RICHTER. "COUPLED CLUSTER TREATMENTS OF QUANTUM MAGNETS: TWO EXAMPLES." International Journal of Modern Physics B 17, no. 28 (November 10, 2003): 5347–65. http://dx.doi.org/10.1142/s0217979203020478.

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In this article we study the ground-state properties of two square-lattice Heisenberg quantum spin models with competing bonds using a high-order coupled cluster treatment. The first model is a spin-half model with competing nearest-neighbour bonds with and without frustration. We discuss the influence of quantum fluctuations on the ground-state phase diagram and in particular on the nature of the zero-temperature phase transitions from phases with collinear magnetic order at small frustration to phases with noncollinear spiral order at large frustration. The second model is a highly frustrated ferrimagnet, which contains one sublattice (A) entirely populated with spin-one spins and an other sublattice (B) entirely populated with spin-half spins. Sublattice A sites are nearest-neighbours to sublattice B sites and vice versa and frustration is introduced by next-nearest-neighbour bonds. The model shows two collinear ordered phases and a noncollinear phase in which (classically) the spin-one spins are allowed to cant at an angle. Both examples show that the coupled-cluster method is able to describe the zero-temperature transitions well and provides a consistent description of collinear, noncollinear, and disordered phases, for cases in which other standard techniques (e.g. the quantum Monte Carlo technique for spin systems which are frustrated) are not applicable.

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Verseils, M., P. Hemme, D. Bounoua, R. Cervasio, J.-B. Brubach, S. Houver, Y. Gallais, et al. "Stabilizing electromagnons in CuO under pressure." npj Quantum Materials 8, no. 1 (February 24, 2023). http://dx.doi.org/10.1038/s41535-023-00542-1.

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AbstractElectromagnons (Electroactive spin wave excitations) could prove to be decisive in information technologies but they remain fragile quantum objects, mainly existing at low temperatures. Any future technological application requires overcoming these two limitations. By means of synchrotron radiation infrared spectroscopy performed in the THz energy range and under hydrostatic pressure, we tracked the electromagnon in the cupric oxide CuO, despite its very low absorption intensity. We demonstrate how a low pressure of 3.3 GPa strongly increases the strength of the electromagnon and expands its existence to a large temperature range enhanced by 40 K. Accordingly, these two combined effects make the electromagnon of CuO under pressure a more ductile quantum object. Numerical simulations based on an extended Heisenberg model were combined to the Monte-Carlo technique and spin dynamics to account for the magnetic phase diagram of CuO. They enable to simulate the absorbance response of the CuO electromagnons in the THz range.

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Тези доповідей конференцій з теми "Magnetic Susceptability - Quantum Monte Carlo Technique"

Albuquerque, Ana Carolina Ferreira de, José Walkimar de Mesquita Carneiro, and Fernando Martins dos Santos Junior. "Estudo do tautomerismo ceto-enólico da 7-epi-clusianona através de cálculos teóricos de deslocamentos químicos de RMN." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202063.

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The properties of natural products, including their biological and pharmacological activities, are directly correlated with their chemical structures. Thus, a correct structural characterization of these compounds is a crucial step to the understanding of their biological activities. However, despite the recent advances in spectroscopic techniques, structural studies of natural products can be challenging. This way, theoretical calculations of Nuclear Magnetic Resonance (NMR) parameters (such as chemical shifts and coupling constants) have proven to be a powerful and low-cost tool for the aid to experimental techniques traditionally used for the structural characterization of natural products. One of the several applications of quantum-mechanical calculations of NMR parameters is the study of tautomerism. Since chemical shifts are sensitive to the tautomeric equilibrium, this technique can provide crucial informations. In this work, it was applied a protocol for theoretical calculations of ¹³C chemical shifts in order to study the tautomerism of the natural product 7-epi-clusianone, isolated from Rheedia gardneriana. This protocol consists in a Monte Carlo conformational search, followed by geometry optimization and shielding tensors calculations, both using a density functional level of theory. After comparison of theoretical and experimental data, it was possible to confirm the two tautomers present in equilibrium in the experimental solution. Furthermore, this study highlights how this theoretical protocol can be an effective method in identifying the preferred tautomeric form in solution.

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