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Using a tight-binding model, we theoretically examine the anisotropic conductivity of the nodal line semimetal of a three-dimensional Dirac electron in a single-component molecular conductor [Pd(dddt)$_2$], which consists of four molecules…

材料科学 · 物理学 2018-11-15 Yoshikazu Suzumura

We examined high-pressure electronic structure of a single-component molecular conductor [Pd(dddt)$_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) at room temperature, based on the crystal structure determined by single crystal…

材料科学 · 物理学 2020-12-02 Reizo Kato , Hengbo Cui , Takaaki Minamidate , Hamish H. -M. Yeung , Yoshikazu Suzumura

Dirac electrons, which have been found in the single-component molecular conductor [Pd(dddt)_2] under pressure, are examined by calculating the conductivity and resistivity in terms of a tight-binding model for several pressures of P GPa,…

强关联电子 · 物理学 2018-07-10 Yoshikazu Suzumura , HenBo Cui , Reizo Kato

We examine the effect of acoustic phonon scattering on the conductivity of two-dimensional Dirac electrons. The temperature ($T$) dependence of the conductivity ($\sigma$) is calculated using the electron Green's function with damping by…

介观与纳米尺度物理 · 物理学 2018-10-31 Yoshikazu Suzumura , Masao Ogata

The electric conductivity of Dirac electrons in the organic conductor $\alpha$-(BEDT-TTF)$_2$I$_3$ [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene] under pressure has been examined using a two-dimensional tight-binding (TB) model with…

介观与纳米尺度物理 · 物理学 2021-03-30 Yoshikazu Suzumura , Masao Ogata

Using first-principles density-functional theory calculations, we obtain the non-coplanar nodal loop for a single-component molecular conductor [Pd(dddt)$_2$] consisting of HOMO and LUMO with different parity. Focusing on two typical Dirac…

材料科学 · 物理学 2018-11-02 Takao Tsumuraya , Reizo Kato , Yoshikazu Suzumura

Phonon scattering by electrons, or "phonon-electron scattering", has been recognized as a significant scattering channel for phonons in materials with high electron concentration, such as thermoelectrics and nanoelectronics, even at room…

材料科学 · 物理学 2019-09-11 Sheng-Ying Yue , Runqing Yang , Bolin Liao

Transport of electrons at high electric fields is investigated in an intrinsic three-dimensional Dirac semimetal cadmium arsenide, considering the scattering of electrons from acoustic and optical phonons. Screening and hot phonon effect…

材料科学 · 物理学 2020-06-24 S. S. Kubakaddi

The role of doping in tailoring thermal transport in semiconductors is critical for efficient thermal management in electronic devices. While the effects of doping have been extensively studied to tune electrical properties, its impact on…

Motivated by the recent discovery of Dirac nodal line in the single-component molecular conductor [Pt(dmdt)$_{2}$], we propose a three-orbital tight-binding model based on the Wannier fitting of the first-principles calculation, and address…

介观与纳米尺度物理 · 物理学 2020-12-16 Taiki Kawamura , Daigo Ohki , Biao Zhou , Akiko Kobayashi , Akito Kobayashi

Transport through a single molecular conductor is considered, showing negative differential conductance behavior associated with phonon-mediated electron tunneling processes. This theoretical work is motivated by a recent experiment by…

介观与纳米尺度物理 · 物理学 2009-11-11 Alex Zazunov , Denis Feinberg , Thierry Martin

Dirac electrons in a single-component molecular conductor [Pd(dddt)$_2$] under pressure have been examined using a tight-binding model which consists of HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular…

材料科学 · 物理学 2017-04-25 Reizo Kato , Yoshikazu Suzumura

The in-plane acoustic phonon scattering in graphene is solved by considering fully inelastic acoustic phonon scatterings in two-dimensional (2D) Dirac materials for large range of temperature ($T$) and chemical potential ($\mu$). Rigorous…

介观与纳米尺度物理 · 物理学 2020-04-22 Khoe Van Nguyen , Yia-Chung Chang

The electric conductivity of Dirac electrons in the organic conductor $\alpha$-STF$_2$I$_3$ (STF = bis(ethylenedithio)diselenadithiafulvalene), which has an isostructure of ET(=bis(ethylenedithio)tetrathiafulvalene), has been theoretically…

介观与纳米尺度物理 · 物理学 2022-04-28 Yoshikazu Suzumura , Toshio Naito

We study the impact of phonon anharmonicity on the electronic dynamics of soft materials using a nonperturbative quantum-classical approach. The method is applied to a one-dimensional model of doped organic semiconductors with low-frequency…

材料科学 · 物理学 2025-09-24 Jonathan H. Fetherolf , Petra Shih , Timothy C. Berkelbach

A theoretical model is presented for the phonon limited mobility of the Dirac-Fermion gas in a three-dimensional (3D) Dirac semimetal Cd$_3$As$_2$ considering scattering from both the acoustic and the optical phonons. Screening effects are…

材料科学 · 物理学 2019-08-01 S S Kubakaddi

The Seebeck coefficient is examined for two-dimensional Dirac electrons in the three-quarter filled organic conductor alpha-(BEDT-TTF)_2I_3 under hydrostatic pressure, where the Seebeck coefficient is proportional to the ratio of the…

介观与纳米尺度物理 · 物理学 2024-04-10 Yoshikazu Suzumura , Takao Tsumuraya , Masao Ogata

The thermal conductance by phonons of a quasi-one-dimensional solid with isotope or defect scattering is studied using the Landauer formalism for thermal transport. The conductance shows a crossover from localized to Ohmic behavior, just as…

无序系统与神经网络 · 物理学 2009-11-13 P. G. Murphy , J. E. Moore

Semiconducting single-walled carbon nanotubes are studied in the diffusive transport regime. The peak mobility is found to scale with the square of the nanotube diameter and inversely with temperature. The maximum conductance, corrected for…

介观与纳米尺度物理 · 物理学 2009-11-11 Xinjian Zhou , Ji-Yong Park , Shaoming Huang , Jie Liu , Paul L. McEuen

While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity of the approach is seldom tested for high-temperature…

介观与纳米尺度物理 · 物理学 2020-03-05 Xiaokun Gu , Shouhang Li , Hua Bao
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