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您的检索式：作者名="Panshuo Wang"
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| 1 | Rational design of large anomalous Nernst effect in Dirac semimetals显示文摘Anomalous Nernst effect generates a transverse voltage perpendicular to the temperature gradient.It has several advantages compared with the longitudinal thermoelectricity for energy conversion,such as decoupling of electronic and thermal transports,higher flexibility,and simpler lateral structure.However,a design principle beyond specific materials systems for obtaining a large anomalous Nernst conductivity(ANC)is still absent.In this work,we theoretically demonstrate that a pair of Dirac nodes under a Zeeman field manifests an odd-distributed,double-peak anomalous Hall conductivity curve with respect to the chemical potential and a compensated carrier feature,leading to an enhanced ANC compared with that of a simple Weyl semimetal with two Weyl nodes.Based on first-principles calculations,we then provide two Dirac semimetal candidates,i.e.,Na3Bi and NaTeAu,and show that under a Zeeman field,they exhibit a sizable ANC value of 0.4 Am^(-1)K^(-1) and 1.3 Am^(-1)K^(-1),respectively,near the Fermi level.Such an approach is also applicable to ferromagnetic materials with intrinsic Zeeman splitting,as exemplified by a hypothetical alloy NaFeTe2Au2,exhibiting an ANC as high as 3.7 Am^(-1)K^(-1) at the Fermi level.Our work provides a design principle with a prototype band structure for enhanced ANC pinning at the Fermi level,shedding light on the inverse design of other specific functional materials based on electronic structure. | Panshuo Wang Zongxiang Hu Xiaosong Wu Qihang Liu | 2023 | npj Computational Materials2023，，1： | 0 |
| 2 | Nature of spin-lattice coupling in two-dimensional CrI_(3) and CrGeTe_(3)显示文摘Spin-lattice (SL) coupling plays an important role in spintronic applications given its effects on magnetic,ferroelectric,optical,and thermodynamic properties.Experiments and theoretical calculations have revealed a large SL coupling effect in CrGeTe_(3) and CrI_(3) monolayers.However,the microscopic origin of SL coupling in these systems is still unclear.In this work,we develop a systematic method to explore the atomistic mechanism of SL coupling based on the density functional theory.We find that the first-and second-order SL couplings in ternary system CrGeTe_(3) are considerably stronger than those in binary system CrI_(3).For the first-order SL coupling,the Cr ions of the magnetic pair and Ge ions positively contribute to the strain enhancement of ferromagnetism in CrGeTe_(3).However,the Cr ions provide a negative contribution in CrI_(3).Furthermore,our tight-binding analysis suggests that the p-d hopping in CrGeTe_(3) gradually decreases with the tensile strain,rapidly enhancing the ferromagnetism under the tensile strain.The large frequency shifts in CrGeTe_(3) are caused by the large second-order exchange derivatives (one type of second-order SL coupling) of the Cr ions of the magnetic pair. | Jing Li JunSheng Feng PanShuo Wang ErJun Kan HongJun Xiang | 2021 | Science China(Physics,Mechanics & Astronomy)2021，64，8： | 0 |
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