4.6 Article

Effect of exchange-correlation functional type and spin-orbit coupling on thermoelectric properties of ZrTe2

Related references

Note: Only part of the references are listed.
Article Physics, Applied

Half-Metallicity and Magnetism in the Full Heusler Alloy Fe2MnSn with L21 and XA Stability Ordering Phases

S. Idrissi et al.

Summary: This paper investigates the ab initio method and Monte Carlo simulations of the Fe2MnSn full Heusler alloy for both the XA and L2(1) structures, revealing half-metallic behavior and 100% spin polarization in the XA phase. By studying the magnetization behavior with Monte Carlo simulations at different temperatures and exchange coupling interactions, this study provides insight into the critical magnetic behavior of the alloy. Comparisons with experimental values in literature further validate the findings presented in this comprehensive analysis.

JOURNAL OF LOW TEMPERATURE PHYSICS (2021)

Article Chemistry, Multidisciplinary

Transition from Semimetal to Semiconductor in ZrTe2 Induced by Se Substitution

Zahir Muhammad et al.

ACS NANO (2020)

Article Chemistry, Physical

Material Descriptors for the Discovery of Efficient Thermoelectrics

Patrizio Graziosi et al.

ACS APPLIED ENERGY MATERIALS (2020)

Article Multidisciplinary Sciences

Giant thermoelectric power factor in ultrathin FeSe superconductor

Sunao Shimizu et al.

NATURE COMMUNICATIONS (2019)

Article Chemistry, Multidisciplinary

Magnetotransport Properties of Layered Topological Material ZrTe2 Thin Film

Huichao Wang et al.

ACS NANO (2019)

Article Physics, Applied

Active Peltier Coolers Based on Correlated and Magnon-Drag Metals

M. J. Adams et al.

PHYSICAL REVIEW APPLIED (2019)

Article Multidisciplinary Sciences

High thermoelectric cooling performance of n-type Mg3Bi2-based materials

Jun Mao et al.

SCIENCE (2019)

Article Physics, Applied

Impact of the scattering physics on the power factor of complex thermoelectric materials

Patrizio Graziosi et al.

JOURNAL OF APPLIED PHYSICS (2019)

Article Multidisciplinary Sciences

Thermionic transport across gold-graphene-WSe2 van der Waals heterostructures

Md Golam Rosul et al.

SCIENCE ADVANCES (2019)

Article Materials Science, Multidisciplinary

Non-linear enhancement of thermoelectric performance of a TiSe2 monolayer due to tensile strain, from first-principles calculations

Safoura Nayeb Sadeghi et al.

JOURNAL OF MATERIALS CHEMISTRY C (2019)

Article Chemistry, Multidisciplinary

Massless Dirac Fermions in ZrTe2 Semimetal Grown on InAs(111) by van der Waals Epitaxy

Polychronis Tsipas et al.

ACS NANO (2018)

Article Computer Science, Interdisciplinary Applications

BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients

Georg K. H. Madsen et al.

COMPUTER PHYSICS COMMUNICATIONS (2018)

Article Physics, Multidisciplinary

Anomalous Hall effect in ZrTe5

Tian Liang et al.

NATURE PHYSICS (2018)

Article Multidisciplinary Sciences

Semi-metals as potential thermoelectric materials

Maxime Markov et al.

SCIENTIFIC REPORTS (2018)

Article Physics, Multidisciplinary

Giant anomalous Nernst effect and quantum-critical scaling in a ferromagnetic semimetal

Akito Sakai et al.

NATURE PHYSICS (2018)

Article Multidisciplinary Sciences

Tunable double-Weyl Fermion semimetal state in the SrSi2 materials class

Bahadur Singh et al.

SCIENTIFIC REPORTS (2018)

Article Materials Science, Multidisciplinary

Thermoelectric high ZT half-Heusler alloys Ti1-x-yZrxHfyNiSn (0 ≤ x ≤ 1; 0 ≤ y ≤ 1)

M. Guerth et al.

ACTA MATERIALIA (2016)

Article Physics, Multidisciplinary

Chiral magnetic effect in ZrTe5

Qiang Li et al.

NATURE PHYSICS (2016)

Article Multidisciplinary Sciences

Achieving high power factor and output power density in p-type half-Heuslers Nb1-xTixFeSb

Ran Hea et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2016)

Article Nanoscience & Nanotechnology

Germanium under High Tensile Stress: Nonlinear Dependence of Direct Band Gap vs Strain

Kevin Guilloy et al.

ACS PHOTONICS (2016)

Article Physics, Applied

Electronic cooling using thermoelectric devices

M. Zebarjadi

APPLIED PHYSICS LETTERS (2015)

Article Chemistry, Multidisciplinary

Single Layer Molybdenum Disulfide under Direct Out-of-Plane Compression: Low-Stress Band-Gap Engineering

Miriam Pena-Alvarez et al.

NANO LETTERS (2015)

Article Multidisciplinary Sciences

Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals

Li-Dong Zhao et al.

NATURE (2014)

Article Multidisciplinary Sciences

Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide

Avinash P. Nayak et al.

NATURE COMMUNICATIONS (2014)

Article Physics, Applied

High Thermoelectric Power Factor in a Carrier-Doped Magnetic Semiconductor CuFeS2

Naohito Tsujii et al.

APPLIED PHYSICS EXPRESS (2013)

Article Multidisciplinary Sciences

High thermoelectric performance by resonant dopant indium in nanostructured SnTe

Qian Zhang et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)

Article Nanoscience & Nanotechnology

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain et al.

APL MATERIALS (2013)

Article Chemistry, Multidisciplinary

Enhancement of thermoelectric figure-of-merit by resonant states of aluminium doping in lead selenide

Qinyong Zhang et al.

ENERGY & ENVIRONMENTAL SCIENCE (2012)

Review Chemistry, Multidisciplinary

Perspectives on thermoelectrics: from fundamentals to device applications

M. Zebarjadi et al.

ENERGY & ENVIRONMENTAL SCIENCE (2012)

Review Chemistry, Multidisciplinary

Resonant levels in bulk thermoelectric semiconductors

Joseph P. Heremans et al.

ENERGY & ENVIRONMENTAL SCIENCE (2012)

Article Chemistry, Multidisciplinary

Reevaluation of PbTe1-xIx as high performance n-type thermoelectric material

Aaron D. LaLonde et al.

ENERGY & ENVIRONMENTAL SCIENCE (2011)

Article Chemistry, Multidisciplinary

Multiple-Filled Skutterudites: High Thermoelectric Figure of Merit through Separately Optimizing Electrical and Thermal Transports

Xun Shi et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

Article Chemistry, Multidisciplinary

Power Factor Enhancement by Modulation Doping in Bulk Nanocomposites

Mona Zebarjadi et al.

NANO LETTERS (2011)

Article Multidisciplinary Sciences

Convergence of electronic bands for high performance bulk thermoelectrics

Yanzhong Pei et al.

NATURE (2011)

Article Materials Science, Multidisciplinary

Improving thermoelectric properties of p-type Bi2Te3-based alloys by spark plasma sintering

Di Li et al.

PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL (2011)

Review Chemistry, Multidisciplinary

Enhancement of Thermoelectric Figure-of-Merit by a Bulk Nanostructuring Approach

Yucheng Lan et al.

ADVANCED FUNCTIONAL MATERIALS (2010)

Article Chemistry, Physical

Optimizing Thermoelectric Efficiency in La3-xTe4 via Yb Substitution

Andrew F. May et al.

CHEMISTRY OF MATERIALS (2010)

Article Engineering, Electrical & Electronic

Power Factor Anisotropy of p-Type and n-Type Conductive Thermoelectric Bi-Sb-Te Thin Films

K. Rothe et al.

JOURNAL OF ELECTRONIC MATERIALS (2010)

Article Engineering, Electrical & Electronic

High Thermoelectric Power Factor Near Room Temperature in Full-Heusler Alloys

Eric J. Skoug et al.

JOURNAL OF ELECTRONIC MATERIALS (2009)

Article Physics, Multidisciplinary

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

Fabien Tran et al.

PHYSICAL REVIEW LETTERS (2009)

Article Physics, Multidisciplinary

Giant Kohn Anomaly and the Phase Transition in Charge Density Wave ZrTe3

Moritz Hoesch et al.

PHYSICAL REVIEW LETTERS (2009)

Article Physics, Applied

Enhanced thermoelectric figure of merit in nanostructured n-type silicon germanium bulk alloy

X. W. Wang et al.

APPLIED PHYSICS LETTERS (2008)

Review Chemistry, Physical

Complex thermoelectric materials

G. Jeffrey Snyder et al.

NATURE MATERIALS (2008)

Article Materials Science, Multidisciplinary

Band structure engineering of graphene by strain: First-principles calculations

Gui Gui et al.

PHYSICAL REVIEW B (2008)

Article Physics, Multidisciplinary

Restoring the density-gradient expansion for exchange in solids and surfaces

John P. Perdew et al.

PHYSICAL REVIEW LETTERS (2008)

Article Multidisciplinary Sciences

Cubic AgPbmSbTe2+m:: Bulk thermoelectric materials with high figure of merit

KF Hsu et al.

SCIENCE (2004)

Article Chemistry, Physical

Hybrid functionals based on a screened Coulomb potential

J Heyd et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Physics, Condensed Matter

Thermoelectric properties of Ce-based Kondo semimetals and semiconductors

T Takabatake et al.

PHYSICA B-CONDENSED MATTER (2003)

Article Physics, Applied

Electrical and thermal transport properties of intermediate-valence YbAl3

DM Rowe et al.

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2002)