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Half Heusler (HH) alloys with 18 valence electron count have attracted significant interest in the area of research related to thermoelectrics. Understanding the novel transport properties exhibited by these systems with semiconducting…

Materials Science · Physics 2022-02-15 Kavita Yadav , Saurabh Singh , Tsunehiro Takeuchi , K. Mukherjee

We find that the hole mobility of the crystal smectic phases of the liquid crystal 1,4-di-(5-n-tridecylthien-2-yl)-benzene increases exponentially with decreasing temperature. While qualitatively consistent with transport via polaron bands,…

Charge carrier mobility is at the core of semiconductor materials and devices optimization, and Hall measurement is one of the most important techniques for its characterization. The Hall factor, defined as the ratio between Hall and drift…

Materials Science · Physics 2023-07-12 Tianqi Deng , Deren Yang , Xiaodong Pi

We demonstrate that encapsulation of atomically thin black phosphorus (BP) by hexagonal boron nitride (h-BN) sheets is very effective for minimizing the interface impurities induced during fabrication of BP channel material for quantum…

Mesoscale and Nanoscale Physics · Physics 2016-07-12 Gen Long , Shuigang Xu , Junying Shen , Jianqiang Hou , Zefei Wu , Tianyi Han , Jiangxiazi Lin , Wing Ki Wong , Yuan Cai , Rolf Lortz , Ning Wang

Similar effects of metal and boron vacancies on phonon scattering and lattice thermal conductivity ($\kappa_l$) of ZrB$_2$ and HfB$_2$ are reported. These defects challenge the conventional understanding that associates larger impacts to…

Materials Science · Physics 2022-02-28 Vrishali Sonar , Rohan Dehankar , K. P. Vijayalakshmi , Natalio Mingo , Ankita Katre

Bismuth vanadate (BiVO4 BVO) is a promising photocatalyst for solar energy conversion, but its efficiency is limited by small polaron formation. However, some physical properties of BVO deviate from typical small polaron behavior. Using the…

Materials Science · Physics 2025-02-18 Zhimeng Hao , Taifeng Liu

We investigate the structural, electronic, vibrational, power and transport properties of the $\beta$ allotrope of Ga$_2$O$_3$ from first-principles. We find phonon frequencies and elastic constants that reproduce the correct band ordering,…

Materials Science · Physics 2020-07-29 Samuel Poncé , Feliciano Giustino

Searching the novel 2D semiconductor is crucial to develop the next-generation low-dimensional electronic device. Using first-principles calculations, we propose a class of unexplored binary V-V compound semiconductor (PN, AsN, SbN, AsP,…

Computational Physics · Physics 2016-06-13 Weiyang Yu , Zhili Zhu , Chun-Yao Niu , Xiaolin Cai , Wei-Bing Zhang

Materials with high thermal conductivities (k) is valuable to solve the challenge of waste heat dissipation in highly integrated and miniaturized modern devices. Herein, we report the first synthesis of atomically thin isotopically pure…

Microcavity exciton-polaritons are two-dimensional bosonic quasiparticles composed by excitons and photons. Using model Hamiltonian with parameters generated from ab initio density-functional theory and Bathe-Salpeter Equation calculations,…

Materials Science · Physics 2021-12-01 Huaiyuan Yang , Xinqiang Wang , Xin-Zheng Li

An experimental study of optical phonon modes, both normal and interface (IF) phonons, in bilayer strain-coupled InAs/GaAs_(1-x)Sb_x quantum dot heterostructures has been presented by means of low-temperature polarized Raman scattering. The…

Mesoscale and Nanoscale Physics · Physics 2024-09-17 Priyesh Kumar , Sudip Kumar Deb , Subhananda Chakrabarti , Jhuma Saha

The quantum Hall (QH) effect in two-dimensional electron systems (2DESs) is conventionally observed at liquid-helium temperatures, where lattice vibrations are strongly suppressed and bulk carrier scattering is dominated by disorder.…

Si dominates the semiconductor industry material but possesses an abnormally low room temperature hole mobility (505 cm^2/Vs), which is four times lower than that of Diamond and Ge (2000 cm^2/Vs), two adjacent neighbours in the group IV…

Materials Science · Physics 2020-11-05 Q. L. Yang , H. X. Deng , S. H. Wei , S. S. Li , J. W. Luo

Black phosphorus (BP) has recently emerged as a promising narrow band gap layered semiconductor with optoelectronic properties that bridge the gap between semi-metallic graphene and wide band gap transition metal dichalcogenides such as…

We propose a new route to achieve the superconducting state in Boron-rich solids, the hole doping of B$_{12}$ icosahedra. For this purpose we consider a prototype metallic phase of B$_{13}$C$_2$. We show that in this compound the Boron…

Superconductivity · Physics 2009-11-10 Matteo Calandra , Nathalie Vast , Francesco Mauri

Inspired by the successful synthesis of several allotropes, boron sheets have been one of the hottest spot areas of focus in various fields. Here, we study phonon transport in three types of boron nanoribbons with zigzag and armchair edges…

Materials Science · Physics 2016-10-12 Zhongwei Zhang , Yuee Xie , Qing Peng , Yuanping Chen

Lead-halide perovskites are promising materials for opto-electronic applications. Recent reports indicated that their mechanical and electronic properties are strongly affected by the lattice vibrations. Herein we report far-infrared…

Two-dimensional (2D) boron has been predicted to show superconductivity. However, intrinsic 2D carbon and phosphorus have not been reported to be superconductors, which, inspires us to seek superconductivity in their mixture. Here we…

Superconductivity · Physics 2018-05-23 Bao-Tian Wang , Peng-Fei Liu , Tao Bo , Wen Yin , Fangwei Wang

In ballistic transport, heat carriers such as phonons travel through the solid without any scattering or interaction. Therefore, there is no temperature gradient in the solid, which seems to transport the heat without getting heated itself.…

Mesoscale and Nanoscale Physics · Physics 2016-09-12 R. A. Pulavarthy , M. A. Haque

From first-principles calculations, we predict four new intercalated hexagonal $X$BC ($X$=Mg, Ca, Sr, Ba) compounds to be dynamically stable and phonon-mediated superconductors. These compounds form a LiBC like structure but are metallic.…

Superconductivity · Physics 2022-05-10 Enamul Haque , M. Anwar Hossain , Catherine Stampfl