4.7 Review

Computational studies of doped nanostructures

Related references

Note: Only part of the references are listed.
Article Computer Science, Interdisciplinary Applications

A massively-parallel electronic-structure calculations based on real-space density functional theory

Jun-Ichi Iwata et al.

JOURNAL OF COMPUTATIONAL PHYSICS (2010)

Article Chemistry, Multidisciplinary

Lithium Insertion In Silicon Nanowires: An ab Initio Study

Qianfan Zhang et al.

NANO LETTERS (2010)

Article Chemistry, Multidisciplinary

Controlling Diffusion of Lithium in Silicon Nanostructures

Tzu-Liang Chan et al.

NANO LETTERS (2010)

Article Nanoscience & Nanotechnology

Phosphorus doping of ultra-small silicon nanocrystals

Michele Perego et al.

NANOTECHNOLOGY (2010)

Article Physics, Condensed Matter

N-doped ZnO nanowires: Surface segregation, the effect of hydrogen passivation and applications in spintronics

Hu Xu et al.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2010)

Article Materials Science, Multidisciplinary

Self-purification in Si nanocrystals: An energetics study

Tzu-Liang Chan et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Diameter dependence of mechanical, electronic, and structural properties of InAs and InP nanowires: A first-principles study

Claudia L. dos Santos et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Ab initio molecular dynamics simulations using a Chebyshev-filtered subspace iteration technique

K. H. Khoo et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Structure, energy, and electronic states of vacancies in Ge nanocrystals

Kenneth Bayus et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

n-type doping via avoiding the stabilization of DX centers in InP quantum dots

Lucas V. Besteiro et al.

PHYSICAL REVIEW B (2010)

Article Physics, Multidisciplinary

Colloquium: Structural, electronic, and transport properties of silicon nanowires

Riccardo Rurali

REVIEWS OF MODERN PHYSICS (2010)

Review Mathematics, Applied

Numerical Methods for Electronic Structure Calculations of Materials

Yousef Saad et al.

SIAM REVIEW (2010)

Article Physics, Applied

Size-dependent induced magnetism in carbon-doped ZnO nanostructures

Hyunwook Kwak et al.

APPLIED PHYSICS LETTERS (2009)

Review Chemistry, Multidisciplinary

Single nanowire photovoltaics

Bozhi Tian et al.

CHEMICAL SOCIETY REVIEWS (2009)

Review Computer Science, Interdisciplinary Applications

ABINIT: First-principles approach to material and nanosystem properties

X. Gonze et al.

COMPUTER PHYSICS COMMUNICATIONS (2009)

Review Physics, Condensed Matter

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)

Article Chemistry, Multidisciplinary

Temperature Dependence of Elementary Processes in Doping Semiconductor Nanocrystals

Dingan Chen et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

Article Materials Science, Multidisciplinary

First-principles calculations of the magnetic properties of (Cd,Mn)Te nanocrystals

C. Echeverria-Arrondo et al.

PHYSICAL REVIEW B (2009)

Article Materials Science, Multidisciplinary

Curvature effects on optical response of Si nanocrystals in SiO2 having interface silicon suboxides

Pierre Carrier

PHYSICAL REVIEW B (2009)

Article Materials Science, Multidisciplinary

Ab initio characterization of transition-metal-doped Si nanocrystals

R. Leitsmann et al.

PHYSICAL REVIEW B (2009)

Article Materials Science, Multidisciplinary

Boron and nitrogen impurities in SiC nanowires

I. S. Santos de Oliveira et al.

PHYSICAL REVIEW B (2009)

Article Physics, Multidisciplinary

Role of Confinement on Diffusion Barriers in Semiconductor Nanocrystals

Tzu-Liang Chan et al.

PHYSICAL REVIEW LETTERS (2009)

Article Physics, Multidisciplinary

Ferromagnetism in carbon-doped ZnO films from first-principle study

Xiaofang Wang et al.

PHYSICS LETTERS A (2009)

Review Physics, Multidisciplinary

Fundamentals of zinc oxide as a semiconductor

Anderson Janotti et al.

REPORTS ON PROGRESS IN PHYSICS (2009)

Article Chemistry, Inorganic & Nuclear

Confinement effect in P doped spherical Si nanocrystals

A. Debernardi et al.

SOLID STATE SCIENCES (2009)

Article Chemistry, Physical

Real space method for the electronic structure of one-dimensional periodic systems

Jiaxin Han et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Multidisciplinary

On Doping CdS/ZnS Core/Shell Nanocrystals with Mn

Yongan Yang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Article Chemistry, Multidisciplinary

To dope Mn2+ in a semiconducting nanocrystal

Angshuman Nag et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Article Chemistry, Multidisciplinary

Confinement and surface effects in B and P doping of silicon nanowires

C. R. Leao et al.

NANO LETTERS (2008)

Article Chemistry, Multidisciplinary

Formation of Dopant-Pair Defects and Doping Efficiency in B- and P-Doped Silicon Nanowires

Chang-Youn Moon et al.

NANO LETTERS (2008)

Article Chemistry, Multidisciplinary

Size limits on doping phosphorus into silicon nanocrystals

T. L. Chan et al.

NANO LETTERS (2008)

Article Materials Science, Multidisciplinary

Role of dimensionality and quantum confinement in p-type semiconductor indium phosphide quantum dots

M. M. G. Alemany et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Role of quantum confinement and hyperfine splitting in lithium-doped ZnO nanocrystals

Hyunwook Kwak et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Mechanism of ferromagnetism in nitrogen-doped ZnO: First-principle calculations

L. Shen et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Quantum confinement effects on Mn-doped InAs nanocrystals: A first-principles study

J. T. Arantes et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Origin of the doping bottleneck in semiconductor quantum dots: A first-principles study

Jingbo Li et al.

PHYSICAL REVIEW B (2008)

Editorial Material Physics, Multidisciplinary

Dalpian and Chelikowsky reply

Gustavo M. Dalpian et al.

PHYSICAL REVIEW LETTERS (2008)

Article Physics, Multidisciplinary

Defect-induced intrinsic magnetism in wide-gap III nitrides

Pratibha Dev et al.

PHYSICAL REVIEW LETTERS (2008)

Article Physics, Multidisciplinary

Chemistry on the computer

Martin Head-Gordon et al.

PHYSICS TODAY (2008)

Review Multidisciplinary Sciences

Doped nanocrystals

David J. Norris et al.

SCIENCE (2008)

Article Physics, Condensed Matter

Ab initio calculations for p-type doped bulk indium phosphide

M. M. G. Alemany et al.

SOLID STATE COMMUNICATIONS (2008)

Article Nanoscience & Nanotechnology

High-performance lithium battery anodes using silicon nanowires

Candace K. Chan et al.

NATURE NANOTECHNOLOGY (2008)

Article Physics, Applied

Origin of ferromagnetism in nitrogen embedded ZnO: N thin films

Chang-Feng Yu et al.

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2007)

Article Physics, Multidisciplinary

Room-temperature ferromagnetism in carbon-doped ZnO

H. Pan et al.

PHYSICAL REVIEW LETTERS (2007)

Article Materials Science, Multidisciplinary

Size and orientation dependence in the electronic properties of silicon nanowires

Jia-An Yan et al.

PHYSICAL REVIEW B (2007)

Article Computer Science, Interdisciplinary Applications

Efficient first-principles calculations of the electronic structure of periodic systems

M. M. G. Alemany et al.

COMPUTER PHYSICS COMMUNICATIONS (2007)

Article Multidisciplinary Sciences

Single-exciton optical gain in semiconductor nanocrystals

Victor I. Klimov et al.

NATURE (2007)

Article Physics, Multidisciplinary

Magnetizing oxides by substituting nitrogen for oxygen

I. S. Elfimov et al.

PHYSICAL REVIEW LETTERS (2007)

Article Chemistry, Multidisciplinary

Energetic pinning of magnetic impurity levels in quantum-confined semiconductors

Nick S. Norberg et al.

NANO LETTERS (2006)

Article Chemistry, Multidisciplinary

Formation and segregation energies of B and P doped and BP codoped silicon nanowires

Hartwin Peelaers et al.

NANO LETTERS (2006)

Article Physics, Fluids & Plasmas

Parallel self-consistent-field calculations via Chebyshev-filtered subspace acceleration

Yunkai Zhou et al.

PHYSICAL REVIEW E (2006)

Article Physics, Multidisciplinary

Evolution of magnetism in iron from the atom to the bulk

Murilo L. Tiago et al.

PHYSICAL REVIEW LETTERS (2006)

Review Physics, Multidisciplinary

Theory of ferromagnetic (III,Mn)V semiconductors

T. Jungwirth et al.

REVIEWS OF MODERN PHYSICS (2006)

Article Physics, Condensed Matter

Carrier-mediated stabilization of ferromagnetism in semiconductors: holes and electrons

G. M. Dalpian et al.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2006)

Article Physics, Condensed Matter

Theory of spintronic materials

James R. Chelikowsky et al.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2006)

Article Physics, Multidisciplinary

Self-purification in semiconductor nanocrystals

Gustavo M. Dalpian et al.

PHYSICAL REVIEW LETTERS (2006)

Article Physics, Condensed Matter

Three real-space discretization techniques in electronic structure calculations

T Torsti et al.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2006)

Article Chemistry, Multidisciplinary

Symmetry considerations in CdSe nanocrystals

GM Dalpian et al.

NANO LETTERS (2006)

Article Chemistry, Multidisciplinary

An alternative of CdSe nanocrystal emitters: Pure and tunable impurity emissions in ZnSe nanocrystals

N Pradhan et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Article Materials Science, Multidisciplinary

Stability and electronic confinement of free-standing InP nanowires:: Ab initio calculations -: art. no. 193404

TM Schmidt et al.

PHYSICAL REVIEW B (2005)

Article Multidisciplinary Sciences

Air-stable all-inorganic nanocrystal solar cells processed from solution

I Gur et al.

SCIENCE (2005)

Article Computer Science, Interdisciplinary Applications

Computing charge densities with partially reorthogonalized Lanczos

C Bekas et al.

COMPUTER PHYSICS COMMUNICATIONS (2005)

Article Materials Science, Multidisciplinary

Band-structure-corrected local density approximation study of semiconductor quantum dots and wires

JB Li et al.

PHYSICAL REVIEW B (2005)

Article Multidisciplinary Sciences

Doping semiconductor nanocrystals

SC Erwin et al.

NATURE (2005)

Article Physics, Multidisciplinary

Size-dependent spintronic properties of dilute magnetic semiconductor nanocrystals

XY Huang et al.

PHYSICAL REVIEW LETTERS (2005)

Article Materials Science, Multidisciplinary

Structural and chemical trends in doped silicon nanocrystals: First-principles calculations

ZY Zhou et al.

PHYSICAL REVIEW B (2005)

Article Physics, Multidisciplinary

Stability of the DX- center in GaAs quantum dots -: art. no. 185501

JB Li et al.

PHYSICAL REVIEW LETTERS (2005)

Article Chemistry, Multidisciplinary

Highly efficient multiple exciton generation in colloidal PbSe and PbS quantum dots

RJ Ellingson et al.

NANO LETTERS (2005)

Review Materials Science, Multidisciplinary

Finite element methods in ab initio electronic structure calculations

JE Pask et al.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2005)

Article Materials Science, Multidisciplinary

Surface passivation method for semiconductor nanostructures

XY Huang et al.

PHYSICAL REVIEW B (2005)

Article Engineering, Electrical & Electronic

Benchmarking nanotechnology for high-performance and low-power logic transistor applications

R Chau et al.

IEEE TRANSACTIONS ON NANOTECHNOLOGY (2005)

Review Multidisciplinary Sciences

Quantum dots for live cells, in vivo imaging, and diagnostics

X Michalet et al.

SCIENCE (2005)

Article Crystallography

A brief introduction to the ABINIT software package

X Gonze et al.

ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)

Article Materials Science, Multidisciplinary

Real-space pseudopotential method for computing the electronic properties of periodic systems

MMG Alemany et al.

PHYSICAL REVIEW B (2004)

Article Physics, Multidisciplinary

Quantum confinement in phosphorus-doped silicon nanocrystals

DV Melnikov et al.

PHYSICAL REVIEW LETTERS (2004)

Article Physics, Multidisciplinary

Mn interstitial diffusion in (Ga,Mn)As

KW Edmonds et al.

PHYSICAL REVIEW LETTERS (2004)

Article Materials Science, Multidisciplinary

Overcoming the doping bottleneck in semiconductors

SH Wei

COMPUTATIONAL MATERIALS SCIENCE (2004)

Article Physics, Multidisciplinary

Quantum confinement and electronic properties of silicon nanowires

XY Zhao et al.

PHYSICAL REVIEW LETTERS (2004)

Article Physics, Multidisciplinary

Ab initio calculations for large dielectric matrices of confined systems -: art. no. 127401

S Ögüt et al.

PHYSICAL REVIEW LETTERS (2003)

Article Materials Science, Multidisciplinary

Silicon in all its forms

J Chelikowsky

MRS BULLETIN (2002)

Article Physics, Multidisciplinary

Hyperfine structure of the electron spin resonance of phosphorus-doped Si nanocrystals

M Fujii et al.

PHYSICAL REVIEW LETTERS (2002)

Article Materials Science, Multidisciplinary

Chemical trends of defect formation and doping limit in II-VI semiconductors: The case of CdTe

SH Wei et al.

PHYSICAL REVIEW B (2002)

Article Materials Science, Multidisciplinary

First-principles approach to spin-orbit coupling in dilute magnetic semiconductors

G Theurich et al.

PHYSICAL REVIEW B (2002)

Article Materials Science, Multidisciplinary

Electronic structure and spin polarization of MnxGa1-xN -: art. no. 041203

L Kronik et al.

PHYSICAL REVIEW B (2002)

Letter Chemistry, Physical

Size-dependent photoluminescence from single indium phosphide nanowires

MS Gudiksen et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2002)

Article Engineering, Electrical & Electronic

First principles materials design for semiconductor spintronics

K Sato et al.

SEMICONDUCTOR SCIENCE AND TECHNOLOGY (2002)

Review Engineering, Electrical & Electronic

Ferromagnetic semiconductors

T Dietl

SEMICONDUCTOR SCIENCE AND TECHNOLOGY (2002)

Article Physics, Condensed Matter

The SIESTA method for ab initio order-N materials simulation

JM Soler et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2002)

Article Materials Science, Multidisciplinary

Electronic structure and spin polarization of Mn-containing dilute magnetic III-V semiconductors

M Jain et al.

PHYSICAL REVIEW B (2001)

Review Multidisciplinary Sciences

Spintronics:: A spin-based electronics vision for the future

SA Wolf et al.

SCIENCE (2001)

Article Materials Science, Multidisciplinary

Experimental investigation of band structure modification in silicon nanocrystals

BJ Pawlak et al.

PHYSICAL REVIEW B (2001)

Article Chemistry, Physical

Structure and electrostatic properties of passivated CdSe nanocrystals

E Rabani

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Materials Science, Multidisciplinary

Anomalous exchange interactions in III-V dilute magnetic semiconductors

M van Schilfgaarde et al.

PHYSICAL REVIEW B (2001)

Article Materials Science, Multidisciplinary

Multigrid method for electronic structure calculations

M Heiskanen et al.

PHYSICAL REVIEW B (2001)

Article Physics, Applied

Influence of the local As antisite distribution on ferromagnetism in (Ga, Mn)As

S Sanvito et al.

APPLIED PHYSICS LETTERS (2001)

Letter Chemistry, Physical

Synthetic control of the diameter and length of single crystal semiconductor nanowires

MS Gudiksen et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2001)

Article Materials Science, Multidisciplinary

First-principles study of the origin and nature of ferromagnetism in Ga1-xMnxAs -: art. no. 165206

S Sanvito et al.

PHYSICAL REVIEW B (2001)

Article Chemistry, Physical

Structural and electronic properties of CdS and CdSe clusters

MC Troparevsky et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Chemistry, Multidisciplinary

High-quality manganese-doped ZnSe nanocrystals

DJ Norris et al.

NANO LETTERS (2001)

Article Materials Science, Multidisciplinary

Photoluminescence and free-electron absorption in heavily phosphorus-doped Si nanocrystals

A Mimura et al.

PHYSICAL REVIEW B (2000)

Review Physics, Multidisciplinary

Real-space mesh techniques in density-functional theory

TL Beck

REVIEWS OF MODERN PHYSICS (2000)

Article Computer Science, Interdisciplinary Applications

Parallel methods and tools for predicting material properties

A Stathopoulos et al.

COMPUTING IN SCIENCE & ENGINEERING (2000)

Article Multidisciplinary Sciences

Meet the spin doctors . . .

P Ball

NATURE (2000)

Review Physics, Applied

The pseudopotential-density functional method applied to nanostructures

JR Chelikowsky

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2000)

Article Chemistry, Multidisciplinary

Organometallic synthesis and spectroscopic characterization of manganese-doped CdSe nanocrystals

FV Mikulec et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)