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The local electronic and atomic structures of the high-quality single crystal of SrFeO3-{delta} ({delta}~0.19) were studied using temperature-dependent x-ray absorption and valence-band photoemission spectroscopy (VB-PES) to investigate the…

We thoroughly investigate the microscopic mechanisms of the thermal transport in orthorhombic \textit{o}-CsCu$_5$S$_3$ by integrating the first-principles-based self-consistent phonon calculations (SCP) with the linearized Wigner transport…

材料科学 · 物理学 2024-04-17 Jincheng Yue , Jiongzhi Zheng , Junda Li , Siqi Guo , Wenling Ren , Han Liu , Yanhui Liu , Tian Cui

Recently, $\beta$-Te (atomically 2D tellurium) with rectangular crystal structure has been synthesized successfully on highly oriented pyrolytic graphite substrates by using molecular beam epitaxy. It has been found possessing remarkable…

材料科学 · 物理学 2019-05-21 Gang Liu , Zhibin Gao , Jie Ren

The lattice thermal expansion and conductivity in bulk Mo and W-based transition metal dichalcogenides are investigated by means of density functional and Boltzmann transport theory calculations. To this end, a recent van der Waals density…

材料科学 · 物理学 2021-01-14 Daniel O. Lindroth , Paul Erhart

We report the synthesis of n-type SnSe$_{1-x}$ using a self-sacrificial, facile, solvo-thermal synthesis route. Electrical and thermal transport measurements suggest a low thermal conductivity and a significant thermopower in the…

材料科学 · 物理学 2016-01-07 Tutul Bera , Anup V. Sanchela , C. V. Tomy , Ajay D. Thakur

We investigated the thermal resistance of SnSe nanoflakes using scanning thermal microscopy, an extension of atomic force microscopy that allows for nanoscale thermal mapping. The nanoflakes studied ranged in thickness from 5 nm to 40 nm,…

材料科学 · 物理学 2024-10-04 M. Ozdogan , T. Iken , D. Cakir , N. Oncel

We present results of electronic band structure, Fermi surface and electron transport properties calculations in orthorhombic $n$- and $p$-type SnSe, applying Korringa-Kohn-Rostoker method and Boltzmann transport approach. The analysis…

材料科学 · 物理学 2015-05-11 K. Kutorasinski , B. Wiendlocha , S. Kaprzyk , J. Tobola

The thermal conductivity of some orientational glasses of protonated C2H5OH and deuterated C2D5OD ethanol, cyclic substances (cyclohexanol C6H11OH, cyanocyclohexane C6H11CN, cyclohexene C6H10), and freon 112 (CFCl2)2 have been analyzed in…

无序系统与神经网络 · 物理学 2014-04-03 A. I. Krivchikov , G. A. Vdovychenko , O. A. Korolyuk , O. O. Romantsova

Intuitive entropic interpretations of the thermoelectric effect in metals predict an isotropic Seebeck coefficient at high temperatures in the incoherent regime even in anisotropic metals since entropy is not directional.…

Recently SnSe compound was reported to have a peak thermoelectric figure-5 of-merit (ZT) of 2.62 at 923 K, but the ZT values at temperatures below 750 K are relatively low. In this work, the electronic structures of SnSe are calculated…

材料科学 · 物理学 2015-04-09 Aijun Hong , Lin Li , Haixia Zhu , Zhibo Yan , Junming Liu , Zhifeng Ren

Ultrawide-bandgap rutile GeO2 is emerging as a promising semiconductor for power electronics, where efficient heat dissipation is essential to suppress self-heating and ensure device reliability. However, the temperature dependence and…

Understanding thermal transport in layered transition metal dichalcogenide (TMD) crystals is crucial for a myriad of applications exploiting these materials. Despite significant efforts, several basic thermal transport properties of TMDs…

Lead chalcogenides are the promising thermoelectric (TE) materials having narrow band gap. The present work investigates the TE behaviour of PbSe in the temperature range 300-500 K. The transport properties of the sample have been studied…

For $\beta$-$\mathrm{Ga_2O_3}$ only little information exist concerning the thermal properties, especially the thermal conductivity $\lambda$. Here, the thermal conductivity is measured by applying the electrical 3$\omega$-method on…

材料科学 · 物理学 2015-02-10 Martin Handwerg , Rüdiger Mitdank , Zbigniew Galazka , Saskia F. Fischer

\b{eta}-Ga2O3 has attracted considerable interest in recent years for high power electronics, where thermal properties of \b{eta}-Ga2O3 play a critical role. The thermal conductivity of \b{eta}-Ga2O3 is expected to be three-dimensionally…

材料科学 · 物理学 2019-02-20 Puqing Jiang , Xin Qian , Xiaobo Li , Ronggui Yang

We compute atomistically the heat conductance for ultra-thin pristine silicon nanowires (SiNWs) with diameters ranging from 1 to 5 nm. The room temperature thermal conductance is found to be highly anisotropic: wires oriented along the…

材料科学 · 物理学 2009-01-09 Troels Markussen , Antti-Pekka Jauho , Mads Brandbyge

Density functional theory based study of the pressure dependent physical properties of binary SnS compound has been carried out. The computed elastic constants reveal that SnS is mechanically stable and brittle under ambient conditions.…

材料科学 · 物理学 2022-10-31 Ayesha Tasnim , Md. Mahamudujjaman , Md. Asif Afzal , R. S. Islam , S. H. Naqib

Among all materials, mono-crystalline diamond has one of the highest measured thermal conductivities, with values above 2000 W/m/K at room temperature. This stems from momentum-conserving `normal' phonon-phonon scattering processes…

The high breakdown current densities and resilience to scaling of the metallic transition metal trichalcogenides TaSe3 and ZrTe3 make them of interest for possible interconnect applications, and it motivates this study of their thermal…

材料科学 · 物理学 2021-04-07 Topojit Debnath , Bishwajit Debnath , Roger K. Lake

This paper reports conduction mechanism in a-\sbse over a wide range of temperature (238K to 338K) and frequency (5Hz to 100kHz). The d.c. conductivity measured as a function of temperature shows semiconducting behaviour with activation…

凝聚态物理 · 物理学 2011-11-22 Sanjeev Gautam , D. K. Shukla , Shelly Jain , N. Goyal