Published Papers
Preprint
Conference presentations
Awards
Events
Published papers
2021
  • S. Bae
  • W. Espinoza-Garcia
  • J-G. Kang
  • N. Egawa
  • J. Lee
  • K. Kuwahata
  • M. Khazaei
  • K. Ohno
  • Y-H. Kim
  • M. J. Han
  • H. Hosono
  • G. M. Dalpian
  • H. Raebiger

MXene Phase with C3 Structure Unit: A Family of 2D Electrides Advanced Functional Materials XYZ, (accepted, early view) (2021).

10.1002/adfm.202100009
  • S. Bae
  • J-G. Kang
  • M. Khazaei
  • K. Ohno
  • Y-H. Kim
  • M. J. Han
  • K. J. Chang
  • H. Raebiger

Electronic and magnetic properties of carbide MXenes—the role of electron correlations Materials Today Advances 9, 100118 (2021).

10.1016/j.mtadv.2020.100118
2020
  • T-Y. Jeong
  • S. Bae
  • S-Y. Lee
  • S. Jung
  • Y-H. Kim
  • K-Y. Lee

Valley depolarization in monolayer transition-metal dichalcogenides with zone-corner acoustic phonons Nanoscale 12, 22487 (2020).

10.1039/D0NR04761A
  • H. Raebiger
  • A. C. M. Padilha
  • A. R. Rocha
  • G. M. Dalpian

Electronic mechanism for resistive switching in metal/insulator/metal nanodevices Journal of Physics D 53, 295302 (2020).

10.1088/1361-6463/ab7a58
10.1063/1.5134521
  • K. Ichihashi
  • H. Shinya
  • H. Raebiger

Carrier mediated ferromagnetism in Ga2O3:Cr Applied Physics Express 13, 021002 (2020).

10.35848/1882-0786/ab6ca6
2019
  • E. Ertekin
  • H. Raebiger

First-principles methods for defects: state-of-the-art and emerging approaches in Characterisation and Control of Defects in Semiconductors 289-343 (IET Publishing, 2019).

10.1049/PBCS045E_ch7
ISBN-10: 1-78561-655-2, SBN-13: 978-1-78561-655-6
2018
  • D. Yoshida
  • H. Raebiger
  • K. Shudo
  • K. Ohno

Core electron topologies in chemical compounds: case study of carbon vs. silicon Angewandte Chemie International Edition 57, 7012-7018 (2018).

10.1002/anie.201713108
  • D. Yoshida
  • H. Raebiger
  • K. Shudo
  • K. Ohno

Corrigendum Angewandte Chemie International Edition 58, 10399 (2019).

10.1002/anie.201713108
  • D. Yoshida
  • H. Raebiger
  • K. Shudo

Reply to correspondence Angewandte Chemie International Edition 59, 10408 (2019).

10.1002/anie.201906346
  • H. Raebiger
  • S. Bae
  • C. Echeverria-Arrondo
  • A. Ayuela

Control of hole localization in magnetic semiconductors by axial strain Physical Review Materials 2, 024402 (2018).

10.1103/PhysRevMaterials.2.024402
2017
  • S. Bae
  • N. Sugiyama
  • T. Matsuo
  • H. Raebiger
  • K. Shudo
  • K. Ohno

Defect-induced vibration modes of Ar+-ion irradiated MoS2 surfaces. Physical Review Applied 7, 024001 (2017).

10.1103/PhysRevApplied.7.024001
2016
  • S. Bae
  • H. Raebiger

Critical metal-insulator transition due to nuclear quantum effects in Mn-doped GaAs. Physical Review B (Rapid Communications) 94, 241115(R) (2016).

10.1103/PhysRevB.94.241115
  • A. C. M. Padilha
  • H. Raebiger
  • A. R. Rocha
  • G. M. Dalpian

Charge storage in oxygen deficient phases of TiO2: defect Physics without defects. Scientific Reports 6, 28871:1-7 (2016).

10.1038/srep28871
  • M. Nummela
  • H. Raebiger
  • D. Yoshida
  • M. Tachikawa

Positron Binding Properties of Glycine and Its Aqueous Complexes. Journal of Physical Chemistry A 120, 4037-4042 (2016).

10.1021/acs.jpca.6b01780
  • K. Osada
  • S. Bae
  • M. Tanaka
  • H. Raebiger
  • K. Shudo
  • T. Suzuki

Phonon Properties of Few-Layer Crystals of Quasi-One-Dimensional ZrS3 and ZrSe3. Journal of Physical Chemistry C 120, 4653-4659 (2016).

10.1021/acs.jpcc.5b12441
2015
  • D. Yoshida
  • H. Raebiger

Term rules for simple metal clusters. Scientific Reports 5, 15760:1-10 (2015).

10.1038/srep15760
2014
  • T. Kagawa
  • H. Raebiger

Schottky Barrier Formation and Strain at the (011) GdN/GaN Interface from First Principles. Physical Review Applied 2, 054009:1-8 (2014).

10.1103/PhysRevApplied.2.054009
  • T. Fujita
  • H. Raebiger

Pairwise chemical interactions of charged transition-metal impurities in insulators. Physical Review B (Rapid Communications) 90, 161201:1-5 (2014).

10.1103/PhysRevB.90.161201
  • T. Momose
  • K. Shudo
  • H. Raebiger
  • S. Ohno
  • T. Kitajima
  • M. Uchiyama
  • T. Suzuki
  • M. Tanaka

Molecular Motion Induced by Multivibronic Excitation on Semiconductor Surface. Journal of Physical Chemistry C 118, 1554-1559 (2014).

10.1021/jp408775s
  • T. Fujita
  • H. Raebiger

Direct d-d interactions among transition metal impurities in III-V semiconductors, Applied Physics Express 7, 023004:1-3 (2014).

10.7567/APEX.7.023004
  • H. Raebiger
  • H. Nakayama
  • T. Fujita

Control of defect binding and magnetic interaction energies in dilute magnetic semiconductors by charge state manipulation, Journal of Applied Physics 115, 012008:1-7 (2014).

10.1063/1.4838016
2013
  • H. Nakayama
  • T. Fujita
  • H. Raebiger

Magnetic Properties and Stability of Quasi-One-Dimensional Cr Chains Embedded in (Zn,Cr)Te, Applied Physics Express 6, 073006:1-3 (2013).

10.7567/APEX.6.073006
2011
  • H. Raebiger
  • T. Fujita

Multiple exchange interactions induced by Jahn-Teller distortions in dilute magnetic semiconductors, Physical Review B 84, 172406:1-4 (2011).

10.1103/PhysRevB.84.172406
2010
  • A. Zunger
  • S. Lany
  • H. Raebiger

The quest for dilute ferromagnetism in semiconductors: Guides and misguides by theory, Physics 3, 53:1-8 (2010).

10.1103/Physics.3.53
  • H. Raebiger

Theory of defect complexes in insulators, Physical Review B 82, 073104:1-4 (2010).

10.1103/PhysRevB.82.073104
2009
  • H. Raebiger
  • S. Lany
  • A. Zunger

Electronic structure, donor and acceptor transitions, and magnetism of 3d impurities in In2O3 and ZnO Physical Review B 79, 165202:1-7 (2009).

10.1103/PhysRevB.79.165202
2008
  • J. A. Chan
  • J. Z. Liu
  • H. Raebiger
  • S. Lany
  • A. Zunger

Relative stability, electronic structure, and magnetism of MnN and (Ga,Mn)N alloys, Physical Review B 78, 184109:1-11 (2008).

10.1103/PhysRevB.78.184109
  • H. Raebiger
  • S. Lany
  • A. Zunger

Control of ferromagnetism via electron doping in In2O3:Cr, Physical Review Letters 101, 027203:1-4 (2008).

10.1103/PhysRevLett.101.027203
10.1038/nature07009
  • S. Lany
  • H. Raebiger
  • A. Zunger

Magnetic interactions of Cr-Cr and Co-Co impurity pairs in ZnO within a band-gap corrected density functional approach Physical Review B (Rapid Communications) 77, 241201:1-4 (2008).

10.1103/PhysRevB.77.241201
2007
  • H. Raebiger
  • S. Lany
  • A. Zunger

Impurity clustering and ferromagnetic interactions that are not carrier induced in dilute magnetic semiconductors: The case of Cu2O:Co Physical Review Letters 99, 167203:1-4 (2007).

10.1103/PhysRevLett.99.167203
  • H. Raebiger
  • S. Lany
  • A. Zunger

Origins of the p-type nature and cation deficiency in Cu2O and related materials Physical Review B 76, 045209:1-5 (2007).

10.1103/PhysRevB.76.045209
  • T, Hynninen
  • H. Raebiger
  • J. von Boehm

Structural and magnetic properties of (Ga,Mn)N from first principles Physical Review B 75, 125208:1-10 (2007).

10.1103/PhysRevB.75.125208
2006
  • T, Hynninen
  • M. G. Ganchenkova
  • H. Raebiger
  • J. von Boehm

Ferromagnetism and its evolution during long-term annealing in (Ga,Mn)As, Physical Review B 74, 195337:1-5 (2006).

10.1103/PhysRevB.74.195337
  • H. Raebiger
  • M. G. Ganchenkova
  • J. von Boehm

Diffusion and clustering of substitutional Mn in (Ga,Mn)As Applied Physics Letters 89, 012505:1-3 (2006).

10.1063/1.2219337
  • H. Raebiger
  • T. Hynninen
  • A. Ayuela
  • J. von Boehm

Effects of Mn clustering on ferromagnetism in (Ga,Mn)As, Physica B 376-377, 643-646 (2006).

10.1016/j.physb.2005.12.162
  • T. Hynninen
  • H. Raebiger
  • A. Ayuela
  • J. von Boehm

High Curie temperatures in (Ga,Mn)N from Mn clustering, Applied Physics Letters 88, 122501:1-3 (2006).

10.1063/1.2188036
  • T. Hynninen
  • H. Raebiger
  • J. von Boehm

A multiscale study of ferromagnetism in clustered (Ga,Mn)N, Journal of Physics: Condensed Matter 18, 1561-1567 (2006).

10.1088/0953-8984/18/5/008
2005
  • H. Raebiger
  • A. Ayuela
  • J. von Boehm

Electronic and magnetic properties of substitutional Mn clusters in (Ga,Mn)As, Physical Review B 72, 014465:1-7 (2005).

10.1103/PhysRevB.72.014465
  • H. Raebiger
  • A. Ayuela
  • J. von Boehm
  • R. M. Nieminen

Clustering of Mn in (Ga,Mn)As, Journal of Magnetism and Magnetic Materials 290-291, 1398-1401 (2005).

10.1016/j.jmmm.2004.11.447
2004
  • H. Raebiger
  • A. Ayuela
  • R. M. Nieminen

Intrinsic hole localization mechanism in magnetic semiconductors, Journal of Physics: Condensed Matter 16, L457-L462 (2005).

10.1088/0953-8984/16/41/L05
2002
  • N. Zabala
  • M. J. Puska
  • A. Ayuela
  • H. Raebiger
  • J. von Boehm

Electronic structure and prediction of magnetism in metallic nanowires, Journal of Magnetism and Magnetic Materials 249, 193-199 (2002).

10.1016/S0304-8853(02)00530-9
  • A. Ayuela
  • H. Raebiger
  • M. J. Puska
  • J. von Boehm

Spontaneous magnetization of aluminum nanowires deposited on the NaCl(100) surface, Physical Review B 66, 035417:1-8 (2002).

10.1103/PhysRevB.66.035417
Preprint
arXiv:1209.6432
  • H. Raebiger
  • S. Lany
  • R. Resta
  • A. Zunger

Oxidation numbers as Social Security Numbers: Are they predictive or postdictive?

http://hdl.handle.net/10101/npre.2009.4012.1
Conference presentations
Invited lectures
  • H. Raebiger

Transition metal impurities in solids: from point defects to embedded nanostructures and nano-interfaces.

Invited talk at
The 1st International Conference on Molecules, Polymers, and Materials Physics (MP2), Manaus, Brazil.
August 26–29, 2014
  • H. Raebiger

Transition metal impurities in semiconductors and insulators.

Invited talk at
Gordon Research Conference on Defects in Semiconductors, Waltham, MA.
August 3-8, 2014.
  • H. Raebiger

3d transition metal atoms in small molecules and insulators.

Invited talk at
23rd Annual Meeting of MRS-J, Yokohama, Japan.
December 9-11, 2013
  • H. Raebiger

Transition metal impurities in semiconductors and insulators.

Invited talk at
The 27th International Conference on Defects in Semiconductors, Bologna, Italy.
July 21-26, 2013.
  • H. Raebiger

Impurity states.

Invited lecture at
Psi-k Summer school on Computational Materials Sciences, San Sebastian, Spain.
June 28-July 3, 2010.
  • H. Raebiger

Theory of transition metal impurities and their complexes in semiconductors and insulators.

Invited talk at
The International Conference on Core Research and Engineering Science of Advanced Materials + Third International Conference on Nanospintronics Design and Realization, 3rd-ICNDR, Osaka, Japan.
May 30– June 4, 2010.
  • H. Raebiger

Defects and impurities in renewable energy materials.

Two invited lectures at
Psi-k summer school forComputational Nanoscience for Renewable Energy Solutions, Helsinki, Finland.
September 14–17, 2009.
  • H. Raebiger
  • S. Lany
  • A. Zunger

Theory of ferromagnetism in 3d-doped wide gap oxides.

Invited talk at
53rd Annual Conference on Magnetism and Magnetic Materials, Austin, Texas.
November 10–14, 2008.
  • H. Raebiger

Ferromagnetism in (Ga,Mn)As and (Ga,Mn)N.

Invited talk at
Symposium on Atomic Scale Challenges in Advanced Materials, University of Turku, Turku, Finland.
January 19, 2006.
Contributed talks by H. Raebiger
  • H. Raebiger
  • S. Bae
  • T. Munehiro

Hole localization in (III,Mn)V dilute magnetic semiconductors.

Talk at
9th International Conference on Physics and Applications of Spin-Related Phenomena in Solids, Kobe, Japan.
August 8–11, 2016.
  • H. Raebiger
  • A.C. M. Padilha
  • A. R. Rocha
  • G. M. Dalpian

Optical Switching in Resistive Memories.

Talk at
14th Annual Meeting of the Society of Nano Science and Technology, Kita-Kyushu, Japan.
June 14–16, 2016.
  • H. Raebiger
  • A.C. M. Padilha
  • A. R. Rocha
  • G. M. Dalpian

Electronic Mechanism for Resistive Switching.

Talk at
63rd JSAP Spring Meeting, Tokyo, Japan.
March 19–22, 2016.
  • H. Raebiger
  • A.C. M. Padilha
  • A. R. Rocha
  • G. M. Dalpian

Resistive Switching in Nanodevices.

Talk at
2016 APS March Meeting, Baltimore, MD, USA.
March 14–18, 2016.
  • H. Raebiger
  • A.C. M. Padilha
  • A. R. Rocha
  • G. M. Dalpian

Electronic Model for Resistive Swiching in Nanodevices.

Talk at
25th Annual Meeting of MRS-Japan, Yokohama, Japan.
December 8–10, 2015.
  • H. Raebiger
  • A.C. M. Padilha
  • A. R. Rocha
  • G. M. Dalpian

Electronic Switching in ReRAM devices.

Talk at
The Tenth General Meeting of ACCMS-VO, Sendai, Japan.
November 1-3, 2015.
  • H. Raebiger
  • A.C. M. Padilha
  • A. R. Rocha
  • G. M. Dalpian

The role of defects in memristive switching.

Talk at
28th International Conference on Defects in Semiconductors, Espoo, Finland.
July 27-31, 2015.
  • H. Raebiger
  • A.C. M. Padilha
  • A. R. Rocha
  • G. M. Dalpian

Electronic properties of Magneli phases embedded in memristors and their role in memristive switching.

Talk at
13th Annual Meeting of Society of Nano Science and Technology, Sendai, Japan.
May 11-13, 2015.
  • H. Raebiger

Spin crossover of octahedral cobalt complexes.

Talk at
Congress of the World Association of Theoretical and Computational Chemists WATOC 2014, Santiago, Chile.
October 5-10, 2014.
  • H. Raebiger
  • S. Fukutomi
  • H. Yasuhara

Stability of high and low spin states.

Talk at
The 7th Conference of the Asian Consortium on Computational Materials Science (ACCMS-7), Nakhon Ratchasima, Thailand.
July 23–28, 2013.
  • H. Raebiger
  • S. Fukutomi
  • H. Yasuhara

Stability of high and low spin states.

Talk at
APS March meeting 2013, Baltimore, MD, USA.
March 18–22, 2013.
  • H. Raebiger
  • S. Fukutomi
  • H. Yasuhara

Quantum mechanical descrip- tion of high and low spin states.

Talk at
The Seventh General Meeting of ACCMS-VO, Sendai, Japan.
November 23–25, 2012.
  • H. Raebiger
  • S. Fukutomi
  • H. Yasuhara

Spin multiplicity of octahedral cobalt complexes.

Talk at
IUMRS-ICEM2012, Yokohama, Japan.
September 23–28, 2012.
  • H. Raebiger

Polaronic trapping in magnetic semiconductors.

Talk at
APS March meeting 2012.
February 27–March 2, 2012.
  • H. Raebiger

Polarons in Diluted Magnetic Semiconductors.

Talk at
The Sixth General Meeting of ACCMS-VO, Sendai, Japan.
February 10–12, 2012.
  • H. Raebiger

Self-interaction corrected calculations of polaronic states in magnetic semiconductors.

Talk at
the 21st MRS-J Academic Symposium, Yokohama, Japan.
December 19–21, 2011.
  • H. Raebiger

Magnetic interactions of 3d transition metal impurities in AlN.

Talk at
APS March meeting 2011, Dallas, TX, USA.
March 21–25, 2011.
  • H. Raebiger

Theory of transition metal impurities in semiconductors and insulators: from defect complexes to magnetic interactions.

Talk at
Next Generation of First principles Calculations—Methods and Applications, Tohoku University, Sendai, Japan.
November 10, 2010.
  • H. Raebiger

Theory of transition metal impurities in semiconductors and insulators—charge self-regulation, magnetic interactions and defect complexes.

Talk at
Psi-k Conference 2010, Berlin, Germany.
September 12 – 16, 2010.
  • H. Raebiger

Defect Complexes in Semiconductors and Insulators.

Talk at
APS March meeting 2010, Portland, OR, USA.
March 15–19, 2010.
  • H. Raebiger

Magnetism, electronic structure, and stability of defect complexes in semiconductors and insulators.

Talk at
11th Joint MMM-Intermag conference, Washington, DC, USA.
January 18–22, 2010.
  • H. Raebiger

Theory of defect complexes.

Talk at
The JPS Fall Meeting, Kumamoto, Japan.
September 25–28, 2009.
  • H. Raebiger
  • S. Lany
  • J. A. Chan
  • A. Zunger

LDA-failures for magnetic systems and theories to correct them.

Talk at
The 64th JPS Annual Meeting, Tokyo, Japan.
March 27–30, 2009.
  • H. Raebiger
  • S. Lany
  • A. Zunger

3d impurities in wide-gap oxides - magnetism and carrier doping.

Talk at
2009 APS March meeting, Pitts burgh PA, USA.
March 16 – 20, 2009.
  • H. Raebiger

Theory of charge self-regulation in solids.

Talk at
The Third General Meeting of ACCMS-VO, Sendai, Japan.
February 16–18, 2009.
  • H. Raebiger
  • S. Lany
  • A. Zunger

Charge regulation via a negative feedback: transition metal atoms in semiconductors and insulators.

Talk at
2008 APS March meeting, New Orleans Louisiana, USA.
March 10–14, 2008.
  • H. Raebiger
  • S. Lany
  • A. Zunger

Cobalt doped copper oxide: ferromagnetic Co–Co exchange independent of charge carriers.

Talk at
2007 Magnetism and Magnetic Materials Conference, Tampa FL, USA.
November 5 – 9, 2007.
  • H. Raebiger
  • S. Lany
  • A. Zunger

Spin-driven transition metal clustering in wide-gap ferromagnetic semiconductor Cu2O:Co.

Talk at
2007 APS March meeting, Denver CO, USA.
March 5 – 9, 2007.
  • H. Raebiger
  • T. Hynninen
  • A. Ayuela
  • J. von Boehm

Clustering effects on Curie temperature in (III,Mn)V diluted magnetic semiconductors.

Talk at
Psi-k Conference 2005, Schwäbisch Gmünd, Germany.
September 17 – 21, 2005.
  • H. Raebiger
  • A. Ayuela
  • J. von Boehm

Effects of Mn clustering on ferromagnetism in (Ga,Mn)As.

Talk at
The 23rd International confer- ence on defects in semiconductors (ICDS-23), Awaji Island, Hyogo, Japan.
July 24 – 29, 2005.
  • H. Raebiger
  • A. Ayuela
  • J. von Boehm
  • R. M. Nieminen

Electronic and magnetic properties of Mn clusters in (Ga,Mn)As.

Talk at
39th Annual Conference of the Finnish Physical Society, Espoo, Finland
March 17 – 19, 2004.
  • H. Raebiger
  • A. Ayuela
  • R. M. Nieminen

Vacancies and vacancy complexes in (Ga,Mn)As.

Talk at
2nd NOCDAD School on Defects and diffusion in Semiconductors, Vierumäki, Finland,
October 22 – 26, 2003.
  • H. Raebiger
  • A. Ayuela
  • R. M. Nieminen

Hole compansation in magnetic semiconductors: clustering of Mn in (Ga,Mn)As.

Talk at
37th Annual Conference of the Finnish Physical Society, Helsinki, Finland,
March 20 – 22, 2003.
Talks by co-authors
To be completed
Poster presentations
To be completed
SSMT awards
Student awards
SSMT member Soungmin Bae (4th year undergrad) was awarded the
Award for Encouragement of Research in Materials Science
by MRS-J for his presentation entitled
The Prediction of defect-induced polaronic hole states in wide gap semiconducotrs
given at the 23rd Annual meeting of the MRS-J (Yokohama, 9th to 11th December, 2013).
January 16, 2014
Important events
Upcoming events
ACCMS-9 in Kuala Lumpur, Malaysia.
August 8-11, 2017
ICDS-29 — 29th International Conference on Defects in Semiconductors in Matsue, Japan.
July 30 - August 4, 2017
26th Annual Meeting of MRS-J in Yokohama, Japan. Please join Symposium D-4.
Dec 19 - 22, 2016
ACCMS-VO11 in Sendai, Japan.
Dec 19 - 21, 2016
Past events
MRS-J Annual Meeting in Yokohama (symposium E-2).
December 8-10, 2015
ACCMS-VO10 in Sendai.
November 1-3, 2015
YNU Open Campus open lab.
August 7-8, 2015
ICDS-2015 in Espoo, Finland.
July 27-31, 2015
Colloquium talk by Antonio Claudio M. Padilha reporting on his PhD project.
June 9, 2015
Colloquium talk by Hannes Raebiger reporting on his research stay at UFABC Dalpian group.
April 27, 2015
PhD exam of Takeshi Fujita.
February 7, 2014
The 8th General Meeting of ACCMS-VO November 7-9th, 2013, Matsushima and Sendai.
MRS-J Annual Meeting (symposium R) from 9th to 11th December, 2013, Yokohama.
Abstract deadline Sep 9, 2013.
Collaboration visit to UFABC Santo Andre, Brazil.
Sep 16-28, 2013.
Lectures given on
Sep 18 and 24, 2013.
SSMT 5 year anniversary party was held on Sep 7, 2013.
Special course on quantum chemical calculations (YNU Graduate School of Engineering, Physics Course) given by Prof. Masanori Tachikawa from the Yokohama City University. See collaborators. Organiser: H. Raebiger.
Aug 7-9, 2013.
Faculty seminar by Takeshi Fujita reporting on the progress of his PhD work.
Jul 17, 2013.
Seminar by Dr Stephan Lany (NREL, Colorado) at the University of Tokyo Department of Chemical System Engineering (Hongo campus). Organisers: H. Raebiger & G. Giorgi (U. of Tokyo).
May 16, 2013
© Hannes Raebiger, 2013-2020