云南高校图书馆联盟文献共享服务平台- ANHARMONICITY

ANHARMONICITY: 作品数：35被引量：25H指数：3; 导出分析报告; 相关领域：理学更多>>; 相关作者：王建平杨帆更多>>; 相关机构：中国科学院大学中国科学院更多>>; 相关期刊：《Science Bulletin》《Research》《Frontiers of physics》《npj Computational Materials》更多>>; 相关基金：国家自然科学基金北京市自然科学基金高等学校学科创新引智计划重庆市自然科学基金更多>>

Origin of low lattice thermal conductivity in promising ternary Pb_(m)Bi_(2)S_(3+m)(m=1-10)thermoelectric materials: 《Journal of Materials Science & Technology》2024年第31期12-19,共8页Wei Liu Biao Chen Liqing Xu Dongyang Wang Changsheng Xiang Xiangdong Ding Yu Xiao; supported by the National Natural Science Foundation of China(Nos.52172236 and 12204156);the fund of the State Key Laboratory of Solidification Processing in NPU(No.SKLSP202314);the China Postdoctoral Science Foundation(No.2023QT0315);supported by the“Bairen”Program from the University of Electronic Science and Technology of China.; Ternary Pb-Bi-S compounds emerge as potential thermoelectric materials owing to low thermal conductivity,but the origin of their intrinsic low lattice thermal conductivities lacks further investigation.Herein,a series...; 关键词：Crystal structure evolution Lattice thermal conductivity Phonon dispersion Lattice anharmonicity Lone pair electrons

Phonon transport properties of Janus Pb_(2)XAs(X=P,Sb,and Bi)monolayers:A DFT study: 《Chinese Physics B》2024年第4期71-76,共6页耿嘉鑫张培汤准韵欧阳滔; Project supported by the Youth Science and Technology Talent Project of Hunan Province of China (Grant No.2022RC1197);the National Natural Science Foundation of China (Grant No.52372260)。; Grasping the underlying mechanisms behind the low lattice thermal conductivity of materials is essential for the efficient design and development of high-performance thermoelectric materials and thermal barrier coatin...; 关键词：lattice thermal conductivity weak bonding phonon anharmonicity first principles calculations

Unravelling ultralow thermal conductivity in perovskite Cs_(2)AgBiBr_(6):dominant wave-like phonon tunnelling and strong anharmonicity: 《npj Computational Materials》2024年第1期2933-2945,共13页Jiongzhi Zheng Changpeng Lin Chongjia Lin Geoffroy Hautier Ruiqiang Guo Baoling Huang; the financial support from the Science and Technology Planning Project of Guangdong Province,China(Grant No.2017A050506053);the Science and Technology Program of Guangzhou(No.201704030107);the Hong Kong General Research Fund(Grants No.16214217 and No.16206020);supported in part by the Project of Hetao Shenzhen-Hong Kong Science and Technology Innovation Cooperation Zone(HZQB-KCZYB2020083);R.G.acknowledges support from the Excellent Young Scientists Fund(Overseas)of Shandong Province(2022HWYQ091);the Taishan Scholars Program of Shandong Province,the Natural Science Foundation of Shandong Province(ZR2022MA011);the Initiative Research Fund of Shandong Institute of Advanced Technology(2020107R03);funding by the U.S.Department of Energy,Office of Science,Office of Basic Energy Sciences,Materials Sciences and Engineering Division,under Contract No.DE-AC02-05-CH11231:Materials Project program KC23MP.ChangpengL.acknowledges the support from the Sinergia project of the Swiss National Science Foundation(grant number CRSII5_189924).; Understanding the lattice dynamics and heat transport physics in the lead-free halide double perovskites remains an outstanding challenge due to their lattice dynamical instability and strong anharmonicity.In this wor...; 关键词：harmonic PHONON PEROVSKITE

Thermodynamics of solids including anharmonicity through quasiparticle theory: 《npj Computational Materials》2024年第1期379-393,共15页Ernesto J.Blancas Álvaro Lobato Fernando Izquierdo-Ruiz Antonio M.Márquez J.Manuel Recio Pinku Nath JoséJ.Plata Alberto Otero-de-la-Roza; funded by the Spanish MICIU/AEI/10.13039/501100011033 and European Union Next Generation EU/PRTR(TED2021-130874B-I00,PID2022-138063OB-I00,PID2021-122585-NB-C21-2,TED2021-129457B-I00,PGC2021-125518NB-I00,RED2022-134388-T,and CNS2023-144958);by the Principado de Asturias(FICYT)and FEDER(AYUD/2021/51036);Computer resources/technical support from the Spanish Supercomputing Network(RES)are acknowledged:Xula/CIEMAT(RES-QHS-2023-1-0027),Lusitania/Cénits-COMPUTAEX(QHS-2022-3-0032);MareNostrum5/BSC(RES-AECT-2024-2-0010).; The quasiharmonic approximation(QHA)in combination with density-functional theory is the main computational method used to calculate thermodynamic properties under arbitrary temperature and pressure conditions.QHA can...; 关键词：HARMONIC quasi THERMODYNAMIC

Strong anharmonicity-assisted low lattice thermal conductivities and high thermoelectric performance in double-anion Mo_(2)AB_(2)(A=S,Se,Te;B=Cl,Br,I)semiconductors: 《Chinese Physics B》2023年第10期600-608,共9页廖海俊黄乐谢兴董华锋吴福根孙志鹏李京波; Project supported by the Science and Technology Program of Guangzhou City(Grant Nos.202102020389 and 202103030001);the Fund of Guangdong Provincial Key Laboratory of Information Photonics Technology(Grant No.2020B121201011);the National Natural Science Foundation of China(Grant Nos.11804058 and 12064027)。; The thermoelectric properties of layered Mo_(2)AB_(2)(A=S,Se,Te;B=Cl,Br,I)materials are systematically investigated by first-principles approach.Soft transverse acoustic modes and direct Mo d–Mo d couplings give rise...; 关键词：THERMOELECTRICITY ANHARMONICITY lattice thermal conductivity anisotropy first-principles calculations

Phonon engineering significantly reducing thermal conductivity of thermoelectric materials: a review被引量：4: 《Rare Metals》2023年第9期2825-2839,共15页Chuan-Dong Zhou Bo Liang Wen-Jie Huang Jacques-Guillaume Noudem Xiao-Jian Tan Jun Jiang; supported by the Youth Innovation Promotion Association CAS (No. 2019298);Zhejiang Provincial High-level Talent Special Support Plan (No. 2020R52032)。; Lattice thermal conductivity, κL, is a fundamental parameter for evaluating the performance of thermoelectric materials. However, the predicted value of κL based on the Debye dispersion model is often overestimated ...; 关键词：THERMOELECTRIC Lattice thermal conductivity Sinusoidal phonon dispersion model Standing wave ANHARMONICITY

量子计算机辅助设计先进的超导量子比特:Plasmonium: 《Science Bulletin》2023年第15期1625-1631,M0004,共8页刘丰铭王粲陈明城陈贺李少炜尚仲夏应翀王建文霍永恒彭承志朱晓波陆朝阳潘建伟; supported by the National Natural Science Foundation of China(91836303 and 11805197);the National Key R&D Program of China;the Chinese Academy of Sciences;the Anhui Initiative in Quantum Information Technologies;the Science and Technology Commission of Shanghai Municipality(2019SHZDZX01)。; 复杂的超导量子电路可以用来设计对噪声免疫的量子比特,但其复杂性可能会超出经典计算机所具备的模拟能力.在这种情况下,可以借助量子计算机来对其进行高效的模拟.在这项工作中,作者展示了在基于transmon比特的量子计算机上,利用变分量...; 关键词：Quantum simulation Quantum computer-aided design Variational quantum algorithm Superconducting qubit ANHARMONICITY

Band modification towards high thermoelectric performance of SnSb_(2)Te_(4) with strong anharmonicity driven by cation disorder被引量：2: 《Journal of Materials Science & Technology》2023年第23期140-148,共9页Hong Wu Peng Chen Zizhen Zhou De Zhang Xiangnan Gong Bin Zhang Yang Zhou Kunling Peng Yanci Yan Guiwen Wang Jun Liu Dengfeng Li Guang Han Guoyu Wang Xu Lu Xiaoyuan Zhou; financially supported in part by the National Natural Science Foundation of China(Grant Nos.52125103,52071041,U21A2054,12204080,11904039,and 12004060);supported in part by the Scientific and Technological Research Program of Chongqing Municipal Education Commission(GrantNo.KJQN202200623);the Natural Science Foundation of Chongqing(Grant No.CSTB2022NSCQ-MSX0382)。; As a typical (IV–VI)_(x)(V_(2)VI_(3))_(y) compound, the tetradymite-like layered SnSb_(2)Te_(4) -based compounds have attracted increasing attention in the thermoelectric community owing to the intrinsically low latt...; 关键词：THERMOELECTRIC SnSb_(2)Te_(4) Lattice anharmonicity Resonant level Band Convergence

Electronic origin of the unusual thermal properties of copper-based semiconductors:The s-d coupling-induced large phonon anharmonicity: 《Science China(Physics,Mechanics & Astronomy)》2023年第7期112-119,共8页Kaike Yang Huai Yang Yujia Sun Zhongming Wei Jun Zhang Ping-Heng Tan Jun-Wei Luo Shu-Shen Li Su-Huai Wei Hui-Xiong Deng; supported by the National Natural Science Foundation of China(Grant Nos.12174099,61922077,11874347,12088101,11991060;U2230402);the National Key Research and Development Program of China(Grant Nos.2018YFB2200100,and 2020YFB1506400);the Key Research Program of the Chinese Academy of Sciences(Grant No.XDPB22);the Beijing Science and Technology Committee(Grant No.Z181100005118003);supported by the Youth Innovation Promotion Association of the Chinese Academy of Sciences(Grant No.Y2021042)。; Copper(Cu)-based materials(such as cuprates,Cu chalcogenides,and Cu halides)often exhibit unusual properties such as superconductivity,ultralow thermal conductivity,and superionicity.However,the electronic origin of t...; 关键词：ANHARMONICITY copper-based semiconductor electronic structure thermal conductivity

Strong quartic anharmonicity,ultralow thermal conductivity,high band degeneracy and good thermoelectric performance in Na_(2)TlSb被引量：2: 《npj Computational Materials》2023年第1期2167-2175,共9页Tongcai Yue Yinchang Zhao Jun Ni Sheng Meng Zhenhong Dai; This research were supported by the National Natural Science Foundation of China under Grant No.11974302,No.12174327,No.92270104;the Graduate Innovation Foundation of Yantai University,GIFYTU under Grant No.KGIFYTU2213.; We employ first-principles calculations combined with self-consistent phonon theory and Boltzmann transport equations to investigate the thermal transport and thermoelectric properties of full-Heusler compound Na_(2)T...; 关键词：HARMONIC BONDING thermal

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