The energetics of defects and impurities in metals and ionic materials from first principles

Calculation of the free energy of vacancy formation in solids

Leeuw, S.W. de
Gillan, M.J.
UKAEA, Harwell. Atomic Energy Research Establishment (United Kingdom)

January 1981

SIGLELD:9091.9F(TP--907). / BLDSC - British Library Document Supply CentreGBUnited Kingdo

Synthesis and solid state properties of molecular metals

Wainwright, C.E.A

January 1992

SIGLEAvailable from British Library Document Supply Centre- DSC:DX175059 / BLDSC - British Library D...

Thermodynamics From First Principles: Prediction Of Phase Diagrams And Materials Properties Using Density Functional Theory

William Paul Huhn (4012565)

May 2014

First principles calculations have become one of the main computational methods in condensed matter ...

The energies of point defects near metal/oxide interfaces

Duffy, D.
Harding, J.
Stoneham, A
AEA Technology, Harwell (United Kingdom). Technical Products Div

January 1994

SIGLEAvailable from British Library Document Supply Centre- DSC:9091.9(AEA-TPD--18) / BLDSC - Britis...

A first principles study of defects in semiconductors

Goss, J.P.

January 1997

SIGLEAvailable from British Library Document Supply Centre-DSC:DXN012617 / BLDSC - British Library D...

The calculation of free energies of point defects in ionic crystals

Harding, J
UKAEA Atomic Energy Research Establishment, Harwell (United Kingdom). Theoretical Physics Div

January 1984

SIGLEAvailable from British Library Document Supply Centre- DSC:9091.9(TP--1078) / BLDSC - British L...

First principles Calculations of the properties of earth-metal oxides

Whitehead, E.J

January 1993

Available from British Library Document Supply Centre- DSC:DX175005 / BLDSC - British Library Docume...

A first principles study of light impurities in semiconductors

Leary, P.W.

January 1997

SIGLEAvailable from British Library Document Supply Centre-DSC:DXN016355 / BLDSC - British Library D...

Theory of defect interactions in metals

Thetford, R

January 1989

SIGLEAvailable from British Library Document Supply Centre- DSC:D90998 / BLDSC - British Library Doc...

Defects in solids An ab initio study

Briddon, P.R

January 1990

SIGLEAvailable from British Library Document Supply Centre- DSC:DX91598 / BLDSC - British Library Do...

The volume of formation of defects in ionic crystals

Gillan, M
UKAEA Atomic Energy Research Establishment, Harwell (United Kingdom). Theoretical Physics Div

January 1980

Available from British Library Document Supply Centre- DSC:9091.9(TP--823) / BLDSC - British Library...

Quantum mechanical and classical modelling of defects in metal oxides

Grimes, R.W

January 1988

SIGLEAvailable from British Library Document Supply Centre- DSC:DX89809 / BLDSC - British Library Do...

Bildungsenergien von Punktdefekten in Metallen

Drittler, B.
Weinert, M.
Zeller, R.
Dederichs, Peter H.

January 1988

This work represents a contribution to the problem of calculating point defect energetics in solids ...

Point defect calculations in ionic crystals

Rowell, D.K

January 1985

SIGLEAvailable from British Library Document Supply Centre- DSC:D67594/86 / BLDSC - British Library ...

An ab initio study of defects in solids using parallel computational methods

Jain, D.

January 1996

SIGLEAvailable from British Library Document Supply Centre-DSC:DXN011245 / BLDSC - British Library D...

Calculation of the free energy of vacancy formation in solids

Leeuw, S.W. de
Gillan, M.J.
UKAEA, Harwell. Atomic Energy Research Establishment (United Kingdom)

January 1981

SIGLELD:9091.9F(TP--907). / BLDSC - British Library Document Supply CentreGBUnited Kingdo

Synthesis and solid state properties of molecular metals

Wainwright, C.E.A

January 1992

SIGLEAvailable from British Library Document Supply Centre- DSC:DX175059 / BLDSC - British Library D...

Thermodynamics From First Principles: Prediction Of Phase Diagrams And Materials Properties Using Density Functional Theory

William Paul Huhn (4012565)

May 2014

First principles calculations have become one of the main computational methods in condensed matter ...

The energies of point defects near metal/oxide interfaces

Duffy, D.
Harding, J.
Stoneham, A
AEA Technology, Harwell (United Kingdom). Technical Products Div

January 1994

SIGLEAvailable from British Library Document Supply Centre- DSC:9091.9(AEA-TPD--18) / BLDSC - Britis...

A first principles study of defects in semiconductors

Goss, J.P.

January 1997

SIGLEAvailable from British Library Document Supply Centre-DSC:DXN012617 / BLDSC - British Library D...

The calculation of free energies of point defects in ionic crystals

Harding, J
UKAEA Atomic Energy Research Establishment, Harwell (United Kingdom). Theoretical Physics Div

January 1984

SIGLEAvailable from British Library Document Supply Centre- DSC:9091.9(TP--1078) / BLDSC - British L...

First principles Calculations of the properties of earth-metal oxides

Whitehead, E.J

January 1993

Available from British Library Document Supply Centre- DSC:DX175005 / BLDSC - British Library Docume...

A first principles study of light impurities in semiconductors

Leary, P.W.

January 1997

SIGLEAvailable from British Library Document Supply Centre-DSC:DXN016355 / BLDSC - British Library D...

Theory of defect interactions in metals

Thetford, R

January 1989

SIGLEAvailable from British Library Document Supply Centre- DSC:D90998 / BLDSC - British Library Doc...

Defects in solids An ab initio study

Briddon, P.R

January 1990

SIGLEAvailable from British Library Document Supply Centre- DSC:DX91598 / BLDSC - British Library Do...

The volume of formation of defects in ionic crystals

Gillan, M
UKAEA Atomic Energy Research Establishment, Harwell (United Kingdom). Theoretical Physics Div

January 1980

Available from British Library Document Supply Centre- DSC:9091.9(TP--823) / BLDSC - British Library...

Quantum mechanical and classical modelling of defects in metal oxides

Grimes, R.W

January 1988

SIGLEAvailable from British Library Document Supply Centre- DSC:DX89809 / BLDSC - British Library Do...

Bildungsenergien von Punktdefekten in Metallen

Drittler, B.
Weinert, M.
Zeller, R.
Dederichs, Peter H.

January 1988

This work represents a contribution to the problem of calculating point defect energetics in solids ...

Point defect calculations in ionic crystals

Rowell, D.K

January 1985

SIGLEAvailable from British Library Document Supply Centre- DSC:D67594/86 / BLDSC - British Library ...

An ab initio study of defects in solids using parallel computational methods

Jain, D.

January 1996

SIGLEAvailable from British Library Document Supply Centre-DSC:DXN011245 / BLDSC - British Library D...

Calculation of the free energy of vacancy formation in solids

Leeuw, S.W. de
Gillan, M.J.
UKAEA, Harwell. Atomic Energy Research Establishment (United Kingdom)

January 1981

SIGLELD:9091.9F(TP--907). / BLDSC - British Library Document Supply CentreGBUnited Kingdo

Synthesis and solid state properties of molecular metals

Wainwright, C.E.A

January 1992

SIGLEAvailable from British Library Document Supply Centre- DSC:DX175059 / BLDSC - British Library D...

Thermodynamics From First Principles: Prediction Of Phase Diagrams And Materials Properties Using Density Functional Theory

William Paul Huhn (4012565)

May 2014

First principles calculations have become one of the main computational methods in condensed matter ...

The energetics of defects and impurities in metals and ionic materials from first principles

Abstract

Extracted data

The energetics of defects and impurities in metals and ionic materials from first principles

Abstract

Extracted data

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