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When two planar atomic membranes are placed within the van der Waals distance, the charge and heat transport across the interface are coupled by the rules of momentum conservation and structural commensurability, leading to outstanding…

介观与纳米尺度物理 · 物理学 2018-01-08 Phanibhusan S. Mahapatra , Kingshuk Sarkar , H. R. Krishnamurthy , Subroto Mukerjee , Arindam Ghosh

Superlattice-like phase change memory (SL-PCM) promises lower switching current than conventional PCM based on Ge2Sb2Te5 (GST). However, a fundamental understanding of SL-PCM requires detailed characterization of the interfaces within such…

Penta-graphene (PG) has been identified as a novel 2D material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the…

We investigate electronic structures and thermoelectric properties of recent synthetic half-Heusler $\mathrm{ZrNiPb}$ by using generalized gradient approximation (GGA) and GGA plus spin-orbit coupling (GGA+SOC). Calculated results show that…

材料科学 · 物理学 2016-03-29 San-Dong Guo

In the present work, thermal transport and energy conversation in two thermoelectrically efficient candidates of Janus SnSSe and SnS$_2$ are investigated within the non-equilibrium Monte Carlo simulation of phonon Boltzmann equation. The…

介观与纳米尺度物理 · 物理学 2024-04-12 Seyedeh Ameneh Bahadori , Zahra Shomali

For high efficiency thermoelectric power conversion not only improvement of materials properties but also prediction and synthesis of new thermoelectric materials is needed. Here we have carried out a systematic investigation on…

材料科学 · 物理学 2021-01-25 Jayanta Bera , Atanu Betal , Satyajit Sahu

Whereas thermoelectric performance is normally limited by the figure of merit ZT, transverse thermoelectrics can achieve arbitrarily large temperature differences in a single leg even with inferior ZT by being geometrically tapered. We…

材料科学 · 物理学 2015-06-15 Chuanle Zhou , S. Birner , Yang Tang , K. Heinselman , M. Grayson

Thermoelectric materials offer a promising route for efficient heat-to-power conversion. In search of materials functional at high and low operating temperatures, we investigate the thermoelectric properties of two-dimensional lead halide…

材料科学 · 物理学 2025-09-23 A. E. Sudheer , M Vallinayagam , G Tejaswini , A Kumar , M Posselt , C Kamal , M Zschornak , D Murali

Thermoelectric (TE) materials achieve localised conversion between thermal and electric energies, and the conversion efficiency is determined by a figure of merit zT. Up to date, two-dimensional electron gas (2DEG) related TE materials hold…

Thermoelectric properties of two-dimensional (2D) Dirac materials are calculated within linearized Boltzmann transport theory and relaxation time approximation. We find that the gapless 2D Dirac material exhibits poorer thermoelectric…

介观与纳米尺度物理 · 物理学 2019-09-04 Eddwi H. Hasdeo , Lukas P. A. Krisna , Muhammad Y. Hanna , Bobby E. Gunara , Nguyen T. Hung , Ahmad. R. T. Nugraha

For the development of nanoscale electronics and photonics using atomically thin two-dimensional (2D) materials, it is important to realize van der Waals (vdW) interfaces with low thermal resistance, to minimize performance reduction caused…

Ternary pnictides semiconductors with II-IV-V2 stoichiometry hold potential as cost effective thermoelectric materials with suitable electronic transport properties, but their lattice thermal conductivities ($\kappa$) are typically too…

High electric conductivity ~100 MegaSiemens/m and Seebeck coefficient >200 mkV/K of carbon nanotubes (CNT) make them attractive for a variety of applications. Unfortunately, a high thermal conductivity ~ 3000 W/(m*K) due to the phonon…

介观与纳米尺度物理 · 物理学 2016-11-10 T. Gupta , I. P. Nevirkovets , V. Chandrasekhar , S. Shafranjuk

A suite measurements of the electrical, thermal, and vibrational properties are conducted on palladium sulfide (PdS) in order to investigate its thermoelectric performance. The tetragonal structure with the space group $P$42/$m$ for PdS is…

材料科学 · 物理学 2018-02-09 Liu-Cheng Chen , Bin-Bin Jiang , Hao Yu , Hong-Jie Pang , Lei Su , Xun Shi , Li-Dong Chen , Xiao-Jia Chen

Here, we have investigated the thermoelectric properties of FeMnScGa alloy by combined use of full potential linearized augmented plane-wave (FP-LAPW) method and Boltzmann transport theory implemented in Wien2K and BoltzTraP code,…

强关联电子 · 物理学 2020-12-02 Shubham Singh , Saurabh Singh , Nitinkumar Bijewar , Ashish Kumar

Combined with first-principles calculations and semiclassical Boltzmann transport theory, Janus {\alpha}-STe2 and {\alpha}-SeTe2 monolayers are investigated systematically. Janus {\alpha}-STe2 and {\alpha}-SeTe2 monolayers are indirect…

材料科学 · 物理学 2022-11-28 Gang Liu , Aiqing Guo , Fengli Cao , Weiwei Ju , Zhaowu Wang , Hui Wang , Guo-Ling Li , Zhibin Gao

The 3D- and 2D- behaviour of wide parabolic PbTe single quantum wells, which consist of PbTe p-n-p-structures, are studied theoretically and experimentally. A simple model combines the 2D- subband levels and the 3D-Landau levels in order to…

材料科学 · 物理学 2015-06-25 J. Oswald , G. Heigl , M. Pippan , G. Span , T. Stellberger , D. K. Maude , J. C. Portal

The thermoelectric response of 80-nm-thick strained HgTe films of a three-dimensional topological insulator (3D TI) has been studied experimentally. An ambipolar thermopower is observed where the Fermi energy moves from conducting to the…

介观与纳米尺度物理 · 物理学 2021-12-14 G. M. Gusev , Z. D. Kvon , A. D. Levin , N. N. Mikhailov

Rock-salt structured chalcogenides, such as PbTe, PbSe, and SnTe, are the top candidates for mid-temperature thermoelectric applications, and their p-type thermoelectric efficiencies can be enhanced via aligning the valence bands. Here, we…

材料科学 · 物理学 2016-10-19 Min Hong , Zhi-Gang Chen , Yanzhong Pei , Lei Yang , Jin Zou

Phosphorene, the single layer counterpart of black phosphorus, is a novel two-dimensional semiconductor with high carrier mobility and a large fundamental direct band gap, which has attracted tremendous interest recently. Its potential…

材料科学 · 物理学 2015-02-06 Guangzhao Qin , Qing-Bo Yan , Zhenzhen Qin , Sheng-Ying Yue , Ming Hu , Gang Su