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Published in 2017 at "Meccanica"
DOI: 10.1007/s11012-017-0747-5
Abstract: In this paper, the band structures of TE (thermoelastic) Rayleigh wave in one-dimensional phononic crystals under steady-state thermal environment are investigated in the context of Green–Naghdi theory. The general solutions of the coupled equations are…
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Keywords:
rayleigh wave;
wave one;
phononic crystals;
one dimensional ... See more keywords
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Published in 2020 at "Mechanics of Composite Materials"
DOI: 10.1007/s11029-020-09850-0
Abstract: The interface/interphase is modeled by distributed springs, and the degree of interface damage is characterized by the flexibility coefficient of the springs. Considering different degrees of damage at different interfaces, a general dispersion equation by…
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Keywords:
interface;
degree interface;
band structures;
interface damage ... See more keywords
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Published in 2017 at "Acta Mechanica Solida Sinica"
DOI: 10.1016/j.camss.2017.07.012
Abstract: A meshless radial basis function (RBF) collocation method based on the Eringen nonlocal elasticity theory is developed to calculate the band structures of ternary and quaternary nanoscale multi-layered phononic crystals (PNCs) with functionally graded (FG)…
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Keywords:
rbf collocation;
nanoscale multi;
band;
multi layered ... See more keywords
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Published in 2019 at "Nano Energy"
DOI: 10.1016/j.nanoen.2019.03.031
Abstract: Abstract Thermoelectric performance is proportional to the thermal conductivity reciprocal and power-factor, which are impacted by microstructures and electronic band structures, respectively. Herein, we study the effect of nanoscale pores on thermal conductivity. Within Cd-doped…
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Keywords:
performance;
snte1 xsex;
nanoscale pores;
thermal conductivity ... See more keywords
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Published in 2019 at "Solid State Communications"
DOI: 10.1016/j.ssc.2019.113664
Abstract: Abstract We present improved band structure calculations of the Mg-IV-N2 compounds in the quasiparticle self-consistent GW approximation. Compared to previous calculations (Phys. Rev. B 94, 125201 (2016)) we here include the effects of the Ge-3d…
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Keywords:
semicore states;
self consistent;
band;
quasiparticle self ... See more keywords
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Published in 2020 at "Solid State Communications"
DOI: 10.1016/j.ssc.2020.114049
Abstract: Abstract The quasiparticle band structures of monolayer α-ZrNX (X = Cl, Br, I) and β-ZrNX (X = Cl, Br, I) are researched by using an exact quasiparticle approximation GW theory. Our results show that both monolayer α-ZrNX (X = Cl, Br,…
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Keywords:
quasiparticle;
exciton;
optical properties;
band ... See more keywords
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Published in 2018 at "Surface Science"
DOI: 10.1016/j.susc.2018.01.013
Abstract: Abstract This paper is dedicated to Professor P.R. Norton on the occasion of his 75th birthday, in honor of his profound contributions to Surface Science. Graphene quantum dots (GQDs) attracted great interests attributed to their…
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Keywords:
nitrogen doped;
graphene quantum;
synchrotron based;
band ... See more keywords
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Published in 2017 at "Ultrasonics"
DOI: 10.1016/j.ultras.2016.09.009
Abstract: HIGHLIGHTSA radial basis function method is developed to calculate the band structures.The effects of nonlocal interface imperfections are considered.The influences of various factors on the band structures are investigated. ABSTRACT In this paper, the radial…
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Keywords:
radial basis;
basis function;
method;
band structures ... See more keywords
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Published in 2021 at "npj Computational Materials"
DOI: 10.1038/s41524-021-00512-w
Abstract: Understanding how to optimize electronic band structures for thermoelectrics is a topic of long-standing interest in the community. Prior models have been limited to simplified bands and/or scattering models. In this study, we apply more…
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Keywords:
structure thermoelectrics;
thermoelectrics realistic;
band;
band structures ... See more keywords
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Published in 2017 at "Dalton transactions"
DOI: 10.1039/c6dt03854a
Abstract: External stimuli enabling either a continuous tuning or an abrupt switching of the basic properties of materials that are utilized in various industrial appliances could significantly extend their range of use. The key characteristics of…
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Keywords:
tuning electronic;
electronic vibrational;
band;
band structures ... See more keywords
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Published in 2017 at "Journal of Applied Physics"
DOI: 10.1063/1.4991913
Abstract: We report the band structures and excitonic properties of delafossites CuMO2 (M=Al, Ga, In, Sc, Y, Cr) calculated using the state-of-the-art GW-BSE approach. We evaluate different levels of self-consistency of the GW approximations, namely G0W0,…
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Keywords:
excitonic properties;
structures excitonic;
electronic band;
band ... See more keywords