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Order(N) Tight-Binding Molecular Dynamics (TBMD) simulations are performed to investigate the thermal stability of (10,10) metallic Single-Walled Carbon Nanotubes (SWCNT). Periodic boundary conditions (PBC) are applied in axial direction.…

Materials Science · Physics 2009-11-13 G. Dereli , B. Sungu , C. Ozdogan

Na-ion conduction, and correlations between Na-ion conduction pathways and crystal structure have been investigated as a function of temperature in the layered battery material Na2Ni2TeO6 by impedance spectroscopy and neutron diffraction,…

Materials Science · Physics 2020-07-15 A. K. Bera , S. M. Yusuf

Thermoelectrical properties are frequently used to characterize the materials and endow the free energy from wasted heat for useful purposes. Here, we show that linear thermoelectric effects in tunnel junctions with Fe-based…

Superconductivity · Physics 2023-10-02 Claudio Guarcello , Alessandro Braggio , Francesco Giazotto , Roberta Citro

High performance thermoelectric materials for wide-range temperature applications still remains a challenge. In this study, we have produced high-quality homogeneous $In_{0.32}Ga_{0.68}N$ on ZnO substrates, with no phase separation at high…

Materials Science · Physics 2019-07-25 Yining Feng , Evan Witkoske , Bahadir Kucukgok , Yee Rui Koh , Ali Shakouri , Ian T. Ferguson , Na Lu

We have investigated the effect of Sb-deficiency on the thermoelectric figure of merit (zT) of Zn4Sb3 prepared by solid state reaction route. At high temperatures, the Seebeck coefficient (S) and electrical conductivity ({\sigma}) increase…

Materials Science · Physics 2015-05-06 Anup V. Sanchela , Ajay D. Thakur , C. V. Tomy

Substitution of Cu for Ni in the Kondo lattice system CeNi$_2$Al$_3$ results in a simultaneous optimization of the three interdependent thermoelectric parameters: thermoelectric power, electrical and thermal conductivities, where the…

Strongly Correlated Electrons · Physics 2015-05-14 Peijie Sun , Tusyoshi Ikeno , Toshio Mizushima , Yosikazu Isikawa

This report deals with the correlation between the mechanical strength and thermal stability of systems extending from monatomic chains to surface skins and solids over the whole range of sizes with emphasis on the significance of atomic…

Materials Science · Physics 2007-05-23 Chang Q Sun

Identification of novel materials with enhanced thermoelectric (TE) performance is critical for advancing TE research. In this direction, this is the first report on TE properties of low-cost, nontoxic, and abundant core-shell Cu@Cu2O…

Mesoscale and Nanoscale Physics · Physics 2020-12-02 Vikash Sharma , Gunadhor Singh Okram , Divya Verma , Niranjan Prasad Lalla , Yung-Kang Kuo

Yttria stabilized Zirconia (YSZ) pellets with different crystallite sizes were irradiated with 80 MeV Ag$^{6+}$ ions at room temperature and 1000 K to understand the role of crystallite size/material microstructure and irradiation…

We have proposed novel calorimetric tunneling (CT) experiment allowing exact determination of heat generation (or heat sinking) in individual tunnel junction (TJ) electrodes which opens new possibilities in the field of design and…

Other Condensed Matter · Physics 2009-11-10 I. Batko , M. Batkova

Within the framework of nonequilibrium Green's functions, we investigate the thermoelectric transport in a single molecular junction with electron-phonon and electron-electron interactions. By transforming into a displaced phonon basis, we…

Mesoscale and Nanoscale Physics · Physics 2012-04-26 Jie Ren , Jian-Xin Zhu , James E. Gubernatis , Chen Wang , Baowen Li

The thermo-spin conversion provides new concepts for further developing the green energy-harvesting technology because spin can be controlled with minimal energy in nanostructures. Through theoretical analysis of thermo-spin generation,…

Applied Physics · Physics 2024-01-17 Fupeng Gao , Shaojie Hu , Dawei Wang , Takashi Kimura

In this study, we report the length dependence of thermal conductivity (k) of zinc-blende Zinc-Selenide (ZnSe) and Zinc Telluride (ZnTe) for length scales between 10 nm and 10000 nm using first-principles computations based on…

Thermoelectric effects enable the direct conversion between thermal and electrical energy and provide an alternative route for power generation and refrigeration. The clathrate Ba8Ga16Ge30 has the highest figure of merit (ZT ~ 1) among…

Materials Science · Physics 2011-11-16 Deepa Kasinathan , Vicente Pacheco-Espejel , Helge Rosner

The thermoelectric voltage of a quantum dot connected to leads is calculated using the scattering R-matrix method. Our approach takes into account a temperature gradient between the contacts beyond the linear regime. We obtain sign changes…

Mesoscale and Nanoscale Physics · Physics 2014-12-25 Anda Elena Stanciu , George Alexandru Nemnes , Andrei Manolescu

We study a model of a thermoelectric nanojunction driven by vibrationally-assisted tunneling. We apply the reaction coordinate formalism to derive a master equation governing its thermoelectric performance beyond the weak…

Quantum Physics · Physics 2022-10-28 Conor McConnell , Ahsan Nazir

The thermal conductivity of nanometric objects or nanostructured materials can be determined using non equilibrium molecular dynamics (NEMD) simulations. The technique is simple in its principle, and resembles a numerical guarded hot plate…

Materials Science · Physics 2007-05-23 Patrice Chantrenne , Jean-Louis Barrat

The ultrathin one-dimensional sp3 diamond nanothreads (NTHs), as successfully synthesised recently, have greatly augmented the interests from the carbon community. In principle, there can exist different stable NTH structures. In this work,…

Materials Science · Physics 2018-03-20 Haifei Zhan , Gang Zhang , John M. Bell , Yuantong Gu

We describe here the characteristics of two types of high-quality PbTe p-n-junctions, prepared in this work: (1) by thermal diffusion of In4Te3 gas (TDJ), and (2) by ion implantation (implanted junction, IJ) of In (In-IJ) and Zn (Zn-IJ).…

Other Condensed Matter · Physics 2009-11-13 A. V. Butenko , R. Kahatabi , E. Mogilko , R. Strul , V. Sandomirsky , Y. Schlesinger , Z. Dashevsky , V. Kasiyan , S. Genikhov

Point-contact spectroscopy is applied to study the energy dependence of paramagnetic impurities in noble metals. The samples are in the form of the so-called "mechanically controllable break-junctions" where the investigated piece of alloy…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 I. K. Yanson , V. V. Fisun , J. A. Mydosh , J. M. van Ruitenbeek