Zobrazeno 1 - 10
of 142
pro vyhledávání: '"David Broido"'
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-9 (2022)
Abstract elphbolt is a modern Fortran (2018 standard) code for efficiently solving the coupled electron–phonon Boltzmann transport equations from first principles. Using results from density functional and density functional perturbation theory as
Externí odkaz:
https://doaj.org/article/d9b03b6a6d15434a9eb252625c3d9173
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-7 (2021)
In most compounds, a roughly linear rise in thermal conductivity (k) with pressure (P) is observed. Here, the authors predict boron phosphide exhibits what may be the steepest rise in k with P of any compound followed by a peak and drop in k due to t
Externí odkaz:
https://doaj.org/article/b92862e7e06144969a29097be79bbe66
Autor:
Mauro Fava, Nakib Haider Protik, Chunhua Li, Navaneetha Krishnan Ravichandran, Jesús Carrete, Ambroise van Roekeghem, Georg K. H. Madsen, Natalio Mingo, David Broido
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-7 (2021)
Abstract The promise enabled by boron arsenide’s (BAs) high thermal conductivity (κ) in power electronics cannot be assessed without taking into account the reduction incurred when doping the material. Using first principles calculations, we deter
Externí odkaz:
https://doaj.org/article/987984f27ecc4eb2844b7fc366b127b9
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-8 (2019)
Thermal properties of materials are driven by complex many-body interactions among thermal atomic vibrations called phonons. Here the authors show, from first-principles, that a full description of the unusual thermal behaviour in boron arsenide requ
Externí odkaz:
https://doaj.org/article/4ec3dd6bbc7c42ccae1a05378afa4b05
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-1 (2022)
Externí odkaz:
https://doaj.org/article/583b025e8eba4e7d97d3a0500f125d3a
Autor:
Hangtian Zhu, Ran He, Jun Mao, Qing Zhu, Chunhua Li, Jifeng Sun, Wuyang Ren, Yumei Wang, Zihang Liu, Zhongjia Tang, Andrei Sotnikov, Zhiming Wang, David Broido, David J. Singh, Gang Chen, Kornelius Nielsch, Zhifeng Ren
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-9 (2018)
Identifying new compounds with intrinsically high conversion efficiency is the key to demonstrating next-generation thermoelectric modules. Here, Zhu et al. report the discovery of p-type ZrCoBi-based half Heuslers with thermoelectric conversion effi
Externí odkaz:
https://doaj.org/article/421ea509136c4933a3381c48d747c5c9
Publikováno v:
Physical Review X, Vol 10, Iss 2, p 021063 (2020)
We show that the commonly used lowest-order theory of phonon-phonon interactions frequently fails to accurately describe the anharmonic phonon decay rates and thermal conductivity (κ), even among strongly bonded crystals. Applying a first-principles
Externí odkaz:
https://doaj.org/article/3e579bbd420b460f9d6a48453405444b
Autor:
Jungwoo Shin, Geethal Amila Gamage, Zhiwei Ding, Ke Chen, Fei Tian, Xin Qian, Jiawei Zhou, Hwijong Lee, Jianshi Zhou, Li Shi, Thanh Nguyen, Fei Han, Mingda Li, David Broido, Aaron Schmidt, Zhifeng Ren, Gang Chen
Publikováno v:
Science. 377:437-440
Semiconductors with high thermal conductivity and electron-hole mobility are of great importance for electronic and photonic devices as well as for fundamental studies. Among the ultrahigh–thermal conductivity materials, cubic boron arsenide (c-BAs
High-frequency phonons drive large phonon-drag thermopower in semiconductors at high carrier density
Publikováno v:
Physical Review B. 107
Publikováno v:
Physical Review Materials. 6