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Phonon-assisted tunneling plays a crucial role for electronic device performance and even more so with future size down-scaling. We show how one can include this effect in large-scale first-principles calculations using a single "special…

Mesoscale and Nanoscale Physics · Physics 2017-10-25 Tue Gunst , Troels Markussen , Mattias L. N. Palsgaard , Kurt Stokbro , Mads Brandbyge

Crystal phase engineering gives access to new types of superlattices where, rather than different materials, different crystal phases of the same material are juxtaposed. Here, by means of atomistic nonequilibrium molecular dynamics…

Mesoscale and Nanoscale Physics · Physics 2022-01-14 Kim López-Güell , Nicolas Forrer , Xavier Cartoixà , Ilaria Zardo , Riccardo Rurali

As nanostructured devices become prevalent, interfaces often play an important role in thermal transport phenomena. However, interfacial thermal transport remains poorly understood due to complex physics across a wide range of length scales…

Mesoscale and Nanoscale Physics · Physics 2024-02-27 Xun Li , Jinchen Han , Sangyeop Lee

Over the last decade, progress in wide bandgap, III-V materials systems based on gallium nitride (GaN) has been a major driver in the realization of high power and high frequency electronic devices. Since the highly conductive,…

A thorough understanding of electrical and thermal transport properties of group-III nitride semiconductors is essential for their electronic and thermoelectric applications. Despite extensive previous studies, these transport properties…

Materials Science · Physics 2023-06-28 Yujie Quan , Yubi Chen , Bolin Liao

We theoretically study transport in two-dimensional semimetals. Typically, electron and hole puddles emerge in the transport layer of these systems due to smooth fluctuations in the potential. We calculate the electric response of the…

Mesoscale and Nanoscale Physics · Physics 2014-10-29 Michael Knap , Jay D. Sau , Bertrand I. Halperin , Eugene Demler

This paper presents an ab initio methodology to account for electron-phonon interactions in 2D materials, focusing on transition metal dichalcogenides (TMDCs). It combines density functional theory and maximally localized Wannier functions…

Mesoscale and Nanoscale Physics · Physics 2023-12-04 Jonathan Backman , Youseung Lee , Mathieu Luisier

We compute both electron- and phonon transmissions in thin disordered silicon nanowires. Our atomistic approach is based on tight-binding and empirical potential descriptions of the electronic and phononic systems, respectively. Surface…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Troels Markussen , Antti-Pekka Jauho , Mads Brandbyge

Magnetothermal transport in various frustrated magnets exhibits striking field-dependent anomalies that deviate from conventional magnon or phonon transport. To understand such anomalies, we derive an effective spin-phonon Hamiltonian in…

Strongly Correlated Electrons · Physics 2026-04-14 Haoting Xu , Antoine Matar , Hae-Young Kee

We describe very fast electron dynamics for a graphene nanoribbon driven by a control electromagnetic field in the terahertz regime. The mobility as a function of bias possesses a large threshold value when entering a nonlinear transport…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 Danhong Huang , Godfrey Gumbs , O. Roslyak

Topological materials have drawn increasing attention owing to their rich quantum properties, as highlighted by a large intrinsic anomalous Hall effect (AHE) in Weyl and nodal-line semimetals. However, the practical applications for…

Strongly Correlated Electrons · Physics 2022-02-24 Alex Hiro Mayo , Hidefumi Takahashi , Mohammad Saeed Bahramy , Atsuro Nomoto , Hideaki Sakai , Shintaro Ishiwata

Altermagnets (AMs) - magnetic materials that have spin-split bandstructure with zero net spin polarization can be classified as weak or strong depending upon the strength of altermagnetic term in the Hamiltonian. We theoretically…

Mesoscale and Nanoscale Physics · Physics 2026-02-18 Shubham Ghadigaonkar , Sachchidanand Das , Abhiram Soori

Hosting unique drumhead surface states enclosed by nodal lines, topological nodal-line semimetals exhibit novel transport phenomena. Thus, the exploration of topological semimetals with different nodal-line structures has attracted much…

Mesoscale and Nanoscale Physics · Physics 2023-01-19 Ming-Jian Gao , Hong Wu , Jun-Hong An

Recent studies demonstrate that novel 2D triphosphides semiconductors possess high carrier mobility and promising thermoelectric performance, while the carrier transport behaviors in 2D semimetal triphosphides have never been elucidated…

Materials Science · Physics 2023-08-09 Yongchao Rao , C. Y. Zhao , Lei Shen , Shenghong Ju

The discovery of unusual heat conduction properties of graphene has led to a surge of theoretical and experimental studies of phonon transport in two-dimensional material systems. The rapidly developing graphene thermal field spans from…

Materials Science · Physics 2016-02-01 Denis L. Nika , Alexander A. Balandin

Tuning the ambipolar behavior in charge carrier transport via defect-engineering is crucial for achieving high mobility transistors for nonlinear logic circuits. Here, we present the electric-field tunable electron and hole transport in a…

Interest in high entropy alloy thermoelectric materials is predicated on achieving ultralow lattice thermal conductivity $\kappa\sub{L}$ through large compositional disorder. However, here we show that for a given mechanism, such as mass…

We study amorphous systems with completely random sites and find that, through constructing and exploring a concrete model Hamiltonian, such a system can host an exotic phase of topological amorphous metal in three dimensions. In contrast…

Mesoscale and Nanoscale Physics · Physics 2019-08-21 Yan-Bin Yang , Tao Qin , Dong-Ling Deng , L. -M. Duan , Yong Xu

We present a comprehensive investigation of semi-classical transport properties of n-type ternary compound AlGaAs2, using Rode's iterative method. Four scattering mechanisms, have been included in our transport calculation, namely, ionized…

We study transport properties of a phosphorene monolayer in the presence of single and multiple potential barriers of height $U_0$ and width $d$, using both continuum and microscopic lattice models, and show that the nature of electron…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Sangita De Sarkar , Amit Agarwal , K. Sengupta