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合肥物质科学研究院 [25]
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期刊论文 [71]
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2022 [71]
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Lattice Distortions and Multiple Valence Band Convergence Contributing to High Thermoelectric Performance in MnTe
期刊论文
SMALL, 2022
作者:
Xiong, Wenjie
;
Wang, Zhichao
;
Zhang, Xuemei
;
Wang, Chong
;
Yin, Liangcao
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/12/23
band convergence
Chalcogenide
Lattice Distortions
Thermoelectric materials
Singularities of Three-Dimensional Cubic Piezoelectric Quasicrystal Composite Wedges and Spaces
期刊论文
ACTA MECHANICA SOLIDA SINICA, 2022, 页码: 13
作者:
Mu, Xiang
;
Cao, Ting
;
Xu WS(徐文帅)
;
Zhu, Zhaowei
;
Qin, Taiyan
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2022/12/20
Composite wedges
Stroh formalism
3D cubic piezoelectric quasicrystals (QCs)
Singular orders
Orientations-Dependent Metal-to-Insulator Transition in Solution- Deposited High-Entropy Nickelate Thin Films
期刊论文
CRYSTAL GROWTH & DESIGN, 2022
作者:
Tang, Xianwu
;
Hu, Ling
;
Zhu, Xiaoguang
;
Zhu, Xuebin
;
Wang, Yongjin
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  |  
浏览/下载:17/0
  |  
提交时间:2022/12/23
Temperature-dependent Raman spectra of KTaO3 crystal and melt along with its phonon and electronic properties
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 365
作者:
Wang, Jian
;
You, Jing L.
;
Wang, Xu P.
;
Wang, Min
;
Zhang, Qing L.
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2022/12/23
Temperature dependence
Microstructure
DFT
Raman spectroscopy
Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2022, 卷号: 34, 期号: 43, 页码: 10
作者:
Cheng, Chao
;
Wang, Shaoqing
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  |  
浏览/下载:15/0
  |  
提交时间:2022/10/08
Fourier projection method
molecular dynamics
anharmonic vibration
thermal conductivity
Achieving higher thermoelectric performance of n-type PbTe by adjusting the band structure and enhanced phonon scattering
期刊论文
NANOSCALE, 2022
作者:
Wu, Wei
;
Zhu, Chen
;
Ming, Hongwei
;
Chen, Tao
;
Li, Di
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/12/23
Theoretical design of BAs/WX2 (X = S, Se) heterostructures for high-performance photovoltaic applications from DFT calculations
期刊论文
APPLIED SURFACE SCIENCE, 2022, 卷号: 599, 页码: 11
作者:
Guan, Yue
;
Li, Xiaodan
;
Hu, Qingmiao
;
Zhao, Dandan
;
Zhang, Lin
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  |  
浏览/下载:35/0
  |  
提交时间:2022/09/16
First principle calculations
2D materials
Heterojunction
Electronic structure
Electric field
Photovoltaic applications
Magnetism, spin-phonon coupling and Kitaev interaction in Mott insulator La2ZnIrO6 single crystal oxide
期刊论文
CERAMICS INTERNATIONAL, 2022, 卷号: 48
作者:
Sharma, Poorva
;
Fan, Jiyu
;
Kumar, Ashwini
;
De, Binoy Krishna
;
Tian, Zhaoming
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  |  
浏览/下载:19/0
  |  
提交时间:2022/12/23
Double perovskite
Spin -phonon coupling
Kitaev interaction
Mott -insulator
Magnetic properties
Improved Solubility in Metavalently Bonded Solid Leads to Band Alignment, Ultralow Thermal Conductivity, and High Thermoelectric Performance in SnTe
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022
作者:
Liu, Yuqi
;
Zhang, Xuemei
;
Nan, Pengfei
;
Zou, Bo
;
Zhang, Qingtang
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2022/12/22
band alignments
materials designs
metavalent bonding
solubility limits
thermoelectric
First-principles study of the structural, electronic, dynamical, and mechanical properties of Pd-Nb binary systems
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2022, 卷号: 78, 页码: 12
作者:
Liu, Mingfeng
;
Wang, Lei
;
Wang, Jiantao
;
Zhu, Heyu
;
Ma, Hui
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2022/09/16
First-principles calculations
Variable-composition evolutionary structure search
Pd-Nb binary system
Intermetallics
Electronic structures
Elastic properties
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