D. Joubert

发表

From ultrasoft pseudopotentials to the projector augmented-wave method

G. Kresse, D. Joubert, 1999 .

A numerical study of the functional derivative of the kinetic part of the density functional correlation energy

D. Joubert, 1998 .

A density functional theory analysis of the mechanical and dynamic stability and thermodynamic properties of pyrite-type ZnSe2 and ZnTe2

G. A. Adebayo, D. Joubert, A. A. Musari, 2019, Computational Condensed Matter.

Uniqueness of the iterative solution of the optimized effective potential equation.

D. Joubert, 2007, The Journal of chemical physics.

A theoretical investigation of structural, mechanical, electronic and thermoelectric properties of orthorhombic CH3NH3PbI3

D. Joubert, M. Suleiman, I. O. A. Ali, 2018, The European Physical Journal B.

First-principles study of structural stability, electronic properties and lattice thermal conductivity of KAgX (X = S, Se, Te)

D. Joubert, M. Mahmoud, Elkana K. Rugut, 2019, The European Physical Journal B.

Investigation of structural, mechanical, dynamic, electronic and optical properties of seleno-germanates A2GeSe4 (A = Mg, Ca and γ-Sr) from first principles

D. Joubert, A. Barde, 2020 .

First principle studies on lattice thermal conductivity and thermoelectric properties of ScCu(S,Se,Te)2

D. Joubert, Glenn Jones, Elkana K. Rugut, 2021 .

Pressure effect on structural stability and optical absorption of triclinic NbS3 from DFT and many-body perturbation calculations

D. Joubert, Bonaventure Dusabe, G. M. Dongho-Nguimdo, 2020, The European Physical Journal B.

Pressure-induced phase transition in magnetoresistance perovskite La0.75Ca0.25MnO3: a GGA + U study

D. Joubert, B. M’Passi-Mabiala, B. R. Malonda-Boungou, 2021, Journal of Physics Communications.

First-principles calculations of dynamical and thermodynamic properties of cuprite doped with silver (Cu2(1−x)Ag2xO)

D. Joubert, A. A. Musari, G. Adebayo, 2018 .

First-principle calculations of the bulk properties of 4d transition metal carbides and nitrides in the rocksalt, zincblende and wurtzite structures

D. Joubert, G. Amolo, Daniel P. Joubert, 2011 .

Quantum mechanical ab initio calculations of the structural, electronic and optical properties of bulk gold nitrides

D. Joubert, M. Suleiman, Mohammed Suleiman, 2013, 1309.3753.

A tight-binding phonon calculation to investigate the (001) surface instability of tungsten

D. Joubert, 1988 .

Interatomic force constants and the reconstruction of transition metal surfaces

D. Joubert, 1986 .

Electronic structure and the attractive interaction between atoms on the (001) surface of W

D. Joubert, 1987 .

Mechanical, thermal and thermoelectric properties of MX2 (M = Zr, Hf; X = S, Se)

D. Joubert, M. Abdulsalam, Elkana K. Rugut, 2020 .

A theoretical investigation of structural, electronic and optical properties of bulk copper nitrides

D. Joubert, M. Suleiman, Mahlaga P. Molepo, 2012, Journal of Alloys and Compounds.

Comprehensive first-principles study of bulk, bilayer, and monolayer α-PtO2 properties

D. Joubert, G. M. Dongho-Nguimdo, H. H. Mohammed, 2021 .

Structural stability, electronic, optical and lattice thermal conductivity properties of bulk and monolayer PtS_2

D. Joubert, G. Dongho-Nguimdo, H. H. Mohammed, 2019 .

Exact expressions for ensemble functionals from particle number dependence.

D. Joubert, 2012, The Journal of chemical physics.

Coupling-constant dependence of the density functional correlation energy

G. P. Srivastava, D. Joubert, 1998 .

Structural stability and electronic properties of AgInS2 under pressure

D. Joubert, G. Manyali, G. M. Dongho Nguimdo, 2016, The European Physical Journal B.

Some formal properties of ensemble density functionals

D. Joubert, 2013 .

Theoretical calculations on the structural, electronic, and optical properties of bulk silver nitrides

D. Joubert, M. Suleiman, Mohammed Suleiman, 2012, 1212.6507.

Constraint on the second functional derivative of the exchange-correlation energy

D. Joubert, 2012 .

Functional relations for the density-functional exchange and correlation functionals connecting functionals at three densities

D. Joubert, 2011, 1109.4214.

Optical spectrum and excitons in bulk and monolayer MX2 (M=Zr, Hf; X=S, Se)

D. Joubert, M. Abdulsalam, 2016 .

Electronic and optical properties of MX3 (M = Ti, Zr and Hf; X = S, Se) structures: A first principles insight

D. Joubert, M. Abdulsalam, 2016 .

Structural and electronic properties of MX3 (M = Ti, Zr and Hf; X = S, Se, Te) from first principles calculations

D. Joubert, M. Abdulsalam, 2015 .

Lattice dynamics and thermoelectric properties of YCuSe2

D. Joubert, Glenn Jones, Elkana K. Rugut, 2019, Materials Today Communications.

First-principles study of structural, mechanical, dynamical stability, electronic and optical properties of orthorhombic CH3NH3SnI3 under pressure

D. Joubert, M. Suleiman, I. O. A. Ali, 2019, The European Physical Journal B.

Structural, stability and thermoelectric properties for the monoclinic phase of NaSbS2 and NaSbSe2: A theoretical investigation

D. Joubert, M. Mahmoud, M. Molepo, 2019, The European Physical Journal B.

Structural, electronic and optical properties of TcX2 (X = S, Se, Te) from first principles calculations

D. Joubert, M. Abdulsalam, 2016 .

Screening effects in C60 solids

D. Joubert, 1993 .

Screening trends in C60 solids

D. Joubert, 1993 .

First principles prediction of the solar cell efficiency of chalcopyrite materials AgMX2 (M=In, Al; X=S, Se, Te)

D. Joubert, S. Zambou, G. Dongho-Nguimdo, 2019, Computational Condensed Matter.

First-Principles Calculations of the Electronic and Optical Properties of CH3NH3PbI3 for Photovoltaic Applications

D. Joubert, I. O. A. Ali, Mohamed S.H. Suleiman, 2018 .

Density Functionals: Theory and Applications

D. Joubert, Daniel P. Joubert, 1998 .

A theoretical investigation of structural, mechanical, electronic and thermoelectric properties of orthorhombic CH3NH3PbI3

D. Joubert, M. Suleiman, I. O. A. Ali, 2018, The European Physical Journal B.

DFT investigation of elastic, mechanical, vibrational and thermodynamic properties of cadmium dichalcogenides

D. Joubert, A. A. Musari, G. Adebayo, 2019, Physica B: Condensed Matter.

Structural stability, surface and photocatalytic properties of CdGeP2: A DFT study

D. Joubert, Glenn Jones, Elkana K. Rugut, 2021 .

Equation satisfied by the energy-density functional for electron-electron mutual Coulomb repulsion

D. Joubert, 2011 .

Integral expressions satisfied by the gradient of density functional potentials

D. Joubert, 2003 .

A density functional (PBE, PBEsol, HSE06) study of the structural, electronic and optical properties of the ternary compounds AgAlX2 (X = S, Se, Te)

D. Joubert, G. M. Dongho Nguimdo, 2015 .

Characterization of plastic scintillators using magnetic resonance techniques for the upgrade of the Tile Calorimeter in the ATLAS detector

E. Sideras-Haddad, D. Joubert, H. Jivan, 2015 .

Ab initio study of phonon dispersion and thermodynamic properties of pure and doped pyrites

D. Joubert, A. A. Musari, G. Adebayo, 2017 .

First principles calculations of the thermoelectric properties of α-MnO2 and β-MnO2

D. Joubert, G. Amolo, M. Chepkoech, 2018, The European Physical Journal B.

First-principles calculations of electronic properties, surface stability and photocatalytic potentials of seleno-germanates A2GeSe4 (A = Mg; γ-Sr) surfaces for a promising visible light photocatalytic application

D. Joubert, A. Barde, 2020, Materials Today Communications.

A numerical investigation of properties of the electronic self-energy potential for metallic systems

D. Joubert, J. C. Inkson, 1990 .

A density functional theory study of the thermoelectric properties of K3AuO

D. Joubert, G. Amolo, M. Chepkoech, 2020 .

Theoretical investigation of the thermoelectric properties of ACuO2(A = K, Rb and Cs)

D. Joubert, G. Amolo, M. Chepkoech, 2020, The European Physical Journal B.

Computational study of the structural phases of ZnO

D. Joubert, M. Molepo, 2011 .

First principles study of the structural, stability properties and lattice thermal conductivity of bulk ReSe2

D. Joubert, M. Mahmoud, 2018 .

Polarizability from occupied wavefunctions

D. Joubert, 1993 .

Supercell calculation of relaxation at the vacancy in diamond

Lin Li, D. Joubert, J. Lowther, 1996 .

Approximate kinetic-energy functionals

D. Joubert, M. Tchokonté, 1997 .