We calculate the linear response thermopower S of a quantum point contact using the Landauer formula and therefore assume non-interacting electrons. The purpose of the paper is to compare analytically and numerically the linear thermopower S of non-interacting electrons to the low-temperature approximation, [Formula: see text], and the so-called Mott expression, [Formula: see text], where G(μ,T) is the (temperature-dependent) conductance. This comparison is important, since the Mott formula is often used to detect deviations from single-particle behaviour in the thermopower of a point contact.
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http://dx.doi.org/10.1088/0953-8984/17/25/014 | DOI Listing |
J Chem Phys
December 2024
Dipartimento di Fisica Ettore Pancini, Università di Napoli Federico II, Monte S. Angelo, I-80126 Napoli, Italy.
Quantum Monte Carlo (QMC) methods represent a powerful family of computational techniques for tackling complex quantum many-body problems and performing calculations of stationary state properties. QMC is among the most accurate and powerful approaches to the study of electronic structure, but its application is often hindered by a steep learning curve; hence it is rarely addressed in undergraduate and postgraduate classes. This tutorial is a step toward filling this gap.
View Article and Find Full Text PDFDalton Trans
November 2024
Dipartimento di Scienze Chimiche e Geologiche e UdR INSTM, Università degli Studi di Modena e Reggio Emilia, via G. Campi 103, 41125 Modena, Italy.
First prepared in the late 70s, the pro-ligand 1,3-bis(3,5-dioxo-1-hexyl)benzene (Hbdhb) contains two acetoacetyl terminations linked to a central 1,3-phenylene unit through dimethylene bridges. Since each termination can be either in diketonic or keto-enolic form, in organic solution it exists as a mixture of three spectroscopically resolvable tautomers. In the presence of pyridine, Co and the bdhb anion form a crystalline dimeric compound with formula [Co(bdhb)(py)] (2) and a Co⋯Co separation of more than 11 Å.
View Article and Find Full Text PDFNat Commun
October 2024
Department of Physics, Indian Institute of Science, Bangalore, 560012, India.
J Chem Phys
September 2024
Laboratoire de Chimie Quantique, Institut de Chimie, CNRS/Université de Strasbourg, 4 rue Blaise Pascal, 67000 Strasbourg, France.
In recent studies by Yalouz et al. [J. Chem.
View Article and Find Full Text PDFMater Horiz
November 2024
Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, UK.
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