The Experts below are selected from a list of 171852 Experts worldwide ranked by ideXlab platform
Yong Seung Kwon - One of the best experts on this subject based on the ideXlab platform.
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thermoelectric properties and anisotropic electronic Band Structure on the in4se3 x compounds
Applied Physics Letters, 2009Co-Authors: Jong-soo Rhyee, Yong Seung KwonAbstract:We report the high thermoelectric figure-of-merit (ZT) on the Se-deficient polycrystalline compounds of In4Se3−x (0.02≤x≤0.5) and the anisotropic electronic Band Structure. The Se-deficiency (x) has the effect of decreasing the semiconducting Band gap and increasing the power factor. The Band Structure calculation for In4Se3−x (x=0.25) exhibits localized hole Bands at the Γ-point and Y-S symmetry line, whereas the significant electronic Band dispersion is observed along the c-axis. Here, we propose that the high ZT values on those compounds are originated from the anisotropic electronic Band Structure as well as Peierls distortion.
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Thermoelectric properties and anisotropic electronic Band Structure on the In4Se3−x compounds
Applied Physics Letters, 2009Co-Authors: Jong-soo Rhyee, Yong Seung KwonAbstract:We report the high thermoelectric figure-of-merit (ZT) on the Se-deficient polycrystalline compounds of In4Se3−x (0.02≤x≤0.5) and the anisotropic electronic Band Structure. The Se-deficiency (x) has the effect of decreasing the semiconducting Band gap and increasing the power factor. The Band Structure calculation for In4Se3−x (x=0.25) exhibits localized hole Bands at the Γ-point and Y-S symmetry line, whereas the significant electronic Band dispersion is observed along the c-axis. Here, we propose that the high ZT values on those compounds are originated from the anisotropic electronic Band Structure as well as Peierls distortion.
P B Corkum - One of the best experts on this subject based on the ideXlab platform.
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all optical reconstruction of crystal Band Structure
Physical Review Letters, 2015Co-Authors: Giulio Vampa, T J Hammond, Nicolas Thire, Bruno E Schmidt, Francois Legare, C R Mcdonald, Thomas Brabec, D D Klug, P B CorkumAbstract:The Band Structure of matter determines its properties. In solids, it is typically mapped with angle-resolved photoemission spectroscopy, in which the momentum and the energy of incoherent electrons are independently measured. Sometimes, however, photoelectrons are difficult or impossible to detect. Here we demonstrate an all-optical technique to reconstruct momentum-dependent Band gaps by exploiting the coherent motion of electron-hole pairs driven by intense midinfrared femtosecond laser pulses. Applying the method to experimental data for a semiconductor ZnO crystal, we identify the split-off valence Band as making the greatest contribution to tunneling to the conduction Band. Our new Band Structure measurement technique is intrinsically bulk sensitive, does not require a vacuum, and has high temporal resolution, making it suitable to study reactions at ambient conditions, matter under extreme pressures, and ultrafast transient modifications to Band Structures.
Yoyo Hinuma - One of the best experts on this subject based on the ideXlab platform.
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Band Structure diagram paths based on crystallography
Computational Materials Science, 2017Co-Authors: Yoyo Hinuma, Giovanni Pizzi, Yu Kumagai, Isao TanakaAbstract:Abstract Systematic and automatic calculations of the electronic Band Structure are a crucial component of computationally-driven high-throughput materials screening. An algorithm, for any crystal, to derive a unique description of the crystal Structure together with a recommended Band path is indispensable for this task. The electronic Band Structure is typically sampled along a path within the first Brillouin zone including the surface in reciprocal space. Some points in reciprocal space have higher site symmetries and/or have higher constraints than other points regarding the electronic Band Structure and therefore are likely to be more important than other points. This work categorizes points in reciprocal space according to their symmetry and provides recommended Band paths that cover all special wavevector ( k -vector) points and lines necessarily and sufficiently. Points in reciprocal space are labeled such that there is no conflict with the crystallographic convention. The k -vector coefficients of labeled points, which are located at Brillouin zone face and edge centers as well as vertices, are derived based on a primitive cell compatible with the crystallographic convention, including those with axial ratio-dependent coordinates. Furthermore, we provide an open-source implementation of the algorithms within our SeeK-path python code, to allow researchers to obtain k -vector coefficients and recommended Band paths in an automated fashion. Finally, we created a free online service to compute and visualize the first Brillouin zone, labeled k -points and suggested Band paths for any crystal Structure, that we made available at http://www.materialscloud.org/tools/seekpath/ .
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Band Structure diagram paths based on crystallography
arXiv: Materials Science, 2016Co-Authors: Yoyo Hinuma, Giovanni Pizzi, Yu Kumagai, Isao TanakaAbstract:Systematic and automatic calculations of the electronic Band Structure are a crucial component of computationally-driven high-throughput materials screening. An algorithm, for any crystal, to derive a unique description of the crystal Structure together with a recommended Band path is indispensable for this task. The electronic Band Structure is typically sampled along a path within the first Brillouin zone including the surface in reciprocal space. Some points in reciprocal space have higher site symmetries and/or have higher constraints than other points regarding the electronic Band Structure and therefore are likely to be more important than other points. This work categorizes points in reciprocal space according to their symmetry and provides recommended Band paths that cover all special wavevector (k-vector) points and lines necessarily and sufficiently. Points in reciprocal space are labeled such that there is no conflict with the crystallographic convention. The k-vector coefficients of labeled points, which are located at Brillouin zone face and edge centers as well as vertices, are derived based on a primitive cell compatible with the crystallographic convention, including those with axial ratio-dependent coordinates. Furthermore, we provide an open-source implementation of the algorithms within our SeeK-path python code, to allow researchers to obtain k-vector coefficients and recommended Band paths in an automated fashion. Finally, we created a free online service to compute and visualise Brillouin Zone, labeled k-points and suggested Band paths for any crystal Structure, that we made available at this http URL .
Jong-soo Rhyee - One of the best experts on this subject based on the ideXlab platform.
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thermoelectric properties and anisotropic electronic Band Structure on the in4se3 x compounds
Applied Physics Letters, 2009Co-Authors: Jong-soo Rhyee, Yong Seung KwonAbstract:We report the high thermoelectric figure-of-merit (ZT) on the Se-deficient polycrystalline compounds of In4Se3−x (0.02≤x≤0.5) and the anisotropic electronic Band Structure. The Se-deficiency (x) has the effect of decreasing the semiconducting Band gap and increasing the power factor. The Band Structure calculation for In4Se3−x (x=0.25) exhibits localized hole Bands at the Γ-point and Y-S symmetry line, whereas the significant electronic Band dispersion is observed along the c-axis. Here, we propose that the high ZT values on those compounds are originated from the anisotropic electronic Band Structure as well as Peierls distortion.
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Thermoelectric properties and anisotropic electronic Band Structure on the In4Se3−x compounds
Applied Physics Letters, 2009Co-Authors: Jong-soo Rhyee, Yong Seung KwonAbstract:We report the high thermoelectric figure-of-merit (ZT) on the Se-deficient polycrystalline compounds of In4Se3−x (0.02≤x≤0.5) and the anisotropic electronic Band Structure. The Se-deficiency (x) has the effect of decreasing the semiconducting Band gap and increasing the power factor. The Band Structure calculation for In4Se3−x (x=0.25) exhibits localized hole Bands at the Γ-point and Y-S symmetry line, whereas the significant electronic Band dispersion is observed along the c-axis. Here, we propose that the high ZT values on those compounds are originated from the anisotropic electronic Band Structure as well as Peierls distortion.
Isao Tanaka - One of the best experts on this subject based on the ideXlab platform.
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Band Structure diagram paths based on crystallography
Computational Materials Science, 2017Co-Authors: Yoyo Hinuma, Giovanni Pizzi, Yu Kumagai, Isao TanakaAbstract:Abstract Systematic and automatic calculations of the electronic Band Structure are a crucial component of computationally-driven high-throughput materials screening. An algorithm, for any crystal, to derive a unique description of the crystal Structure together with a recommended Band path is indispensable for this task. The electronic Band Structure is typically sampled along a path within the first Brillouin zone including the surface in reciprocal space. Some points in reciprocal space have higher site symmetries and/or have higher constraints than other points regarding the electronic Band Structure and therefore are likely to be more important than other points. This work categorizes points in reciprocal space according to their symmetry and provides recommended Band paths that cover all special wavevector ( k -vector) points and lines necessarily and sufficiently. Points in reciprocal space are labeled such that there is no conflict with the crystallographic convention. The k -vector coefficients of labeled points, which are located at Brillouin zone face and edge centers as well as vertices, are derived based on a primitive cell compatible with the crystallographic convention, including those with axial ratio-dependent coordinates. Furthermore, we provide an open-source implementation of the algorithms within our SeeK-path python code, to allow researchers to obtain k -vector coefficients and recommended Band paths in an automated fashion. Finally, we created a free online service to compute and visualize the first Brillouin zone, labeled k -points and suggested Band paths for any crystal Structure, that we made available at http://www.materialscloud.org/tools/seekpath/ .
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Band Structure diagram paths based on crystallography
arXiv: Materials Science, 2016Co-Authors: Yoyo Hinuma, Giovanni Pizzi, Yu Kumagai, Isao TanakaAbstract:Systematic and automatic calculations of the electronic Band Structure are a crucial component of computationally-driven high-throughput materials screening. An algorithm, for any crystal, to derive a unique description of the crystal Structure together with a recommended Band path is indispensable for this task. The electronic Band Structure is typically sampled along a path within the first Brillouin zone including the surface in reciprocal space. Some points in reciprocal space have higher site symmetries and/or have higher constraints than other points regarding the electronic Band Structure and therefore are likely to be more important than other points. This work categorizes points in reciprocal space according to their symmetry and provides recommended Band paths that cover all special wavevector (k-vector) points and lines necessarily and sufficiently. Points in reciprocal space are labeled such that there is no conflict with the crystallographic convention. The k-vector coefficients of labeled points, which are located at Brillouin zone face and edge centers as well as vertices, are derived based on a primitive cell compatible with the crystallographic convention, including those with axial ratio-dependent coordinates. Furthermore, we provide an open-source implementation of the algorithms within our SeeK-path python code, to allow researchers to obtain k-vector coefficients and recommended Band paths in an automated fashion. Finally, we created a free online service to compute and visualise Brillouin Zone, labeled k-points and suggested Band paths for any crystal Structure, that we made available at this http URL .
