Improved tetrahedron method for Brillouin-zone integrations
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First-principles study of configurational disorder in B 4 C using a superatom-special quasirandom structure methodAdhesion, atomic structure, and bonding at the Al ( 111 ) / α − Al 2 O 3 ( 0001 ) interface: A first principles studyChemical bonding, elasticity, and valence force field models: A case study for α − Pt 2 Si and PtSiGround-state structures of ice at high pressures from ab initio random structure searchingOsmium is not harder than diamondStructural and electronic properties of Os B 2 : A hard metallic materialStructural and electronic properties of epitaxial multilayer h-BN on Ni(111) for spintronics applications.Laser-induced porous graphene films from commercial polymers.Real-time atomistic observation of structural phase transformations in individual hafnia nanorods.Unraveling the effect of La A-site substitution on oxygen ion diffusion and oxygen catalysis in perovskite BaFeO3 by data-mining molecular dynamics and density functional theory.Pressure-driven formation and stabilization of superconductive chromium hydridesSynthesis, crystal and electronic structures of the new quaternary phases A5Cd2Sb5F (A = Sr, Ba, Eu), and Ba5Cd2Sb5O(x) (0.5<x<0.7).Indium selenide: an insight into electronic band structure and surface excitations.Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism.First-principles calculations, experimental study, and thermodynamic modeling of the Al-Co-Cr system.Screened hybrid density functionals applied to solids.Crystal structure, chemical bonding and magnetism studies for three quinary polar intermetallic compounds in the (Eu(1-x)Ca(x))9In8(Ge(1-y)Sn(y))8 (x = 0.66, y = 0.03) and the (Eu(1-x)Ca(x))3In(Ge(3-y)Sn(1+y)) (x = 0.66, 0.68; y = 0.13, 0.27) phasesOptical properties of a conjugated-polymer-sensitised solar cell: the effect of interfacial structure.The free energy of mechanically unstable phases.Trends in (LaMnO3)n/(SrTiO3)m superlattices with varying layer thicknesses.Non-centrosymmetric Selenides AZn4 In5 Se12 (A=Rb, Cs): Synthesis, Characterization and Nonlinear Optical Properties.Interface control of electronic transport across the magnetic phase transition in SrRuO3/SrTiO3 heterointerface.Na2CdGe2Q6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses.Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba4Ge3S9Cl2, Ba4Si3Se9Cl2 and Ba4Ge3Se9Cl2.Two excellent phase-matchable infrared nonlinear optical materials based on 3D diamond-like frameworks: RbGaSn2Se6 and RbInSn2Se6.Coexistence of Strong Second Harmonic Generation Response and Wide Band Gap in AZn4 Ga5 S12 (A=K, Rb, Cs) with 3D Diamond-like Frameworks.Correlating the Energetics and Atomic Motions of the Metal-Insulator Transition of M1 Vanadium Dioxide.Turning indium oxide into a superior electrocatalyst: deterministic heteroatoms.How does the spin-state of Co ions affect the insulator-metal transition in Bi2A2Co2O8 (A = Ca, Sr, Ba)?Noble-metal-free plasmonic photocatalyst: hydrogen doped semiconductors.Anti-site-induced diverse diluted magnetism in LiMgPdSb-type CoMnTiSi alloy.Electronic structure and transport in thermoelectric compounds AZn2Sb2 (A = Sr, Ca, Yb, Eu).Ab initio molecular dynamics study of high-pressure melting of beryllium oxidePerspective: Methods for large-scale density functional calculations on metallic systems.Surface-energy engineered Bi-doped SnTe nanoribbons with weak antilocalization effect and linear magnetoresistance.A DFT+U study of the structural, electronic, magnetic, and mechanical properties of cubic and orthorhombic SmCoO3.Shape, electronic structure and steric effects of organometallic nanocatalysts: relevant tools to improve the synergy between theory and experiment.Exo-bonded six-membered heterocycle in the crystal structures of RE7Co2Ge4 (RE = La-Nd).Density functional study of methanol decomposition on clean and O or OH adsorbed PdZn(111).A ZrNiAl related high-pressure modification of CeRuSn.
P2860
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P2860
Improved tetrahedron method for Brillouin-zone integrations
description
im Juni 1994 veröffentlichter wissenschaftlicher Artikel
@de
scientific article published on 01 June 1994
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована в червні 1994
@uk
name
Improved tetrahedron method for Brillouin-zone integrations
@en
Improved tetrahedron method for Brillouin-zone integrations
@nl
type
label
Improved tetrahedron method for Brillouin-zone integrations
@en
Improved tetrahedron method for Brillouin-zone integrations
@nl
prefLabel
Improved tetrahedron method for Brillouin-zone integrations
@en
Improved tetrahedron method for Brillouin-zone integrations
@nl
P1433
P1476
Improved tetrahedron method for Brillouin-zone integrations
@en
P2093
P304
16223-16233
P356
10.1103/PHYSREVB.49.16223
P407
P577
1994-06-01T00:00:00Z