Phonon thermal transport in transition-metal and rare-earth nitride semiconductors from first principles

Li, Chunhua; Broido, David

doi:10.1103/PhysRevB.95.205203

Title: Phonon thermal transport in transition-metal and rare-earth nitride semiconductors from first principles

Authors:: Li, Chunhua; Broido, David

Publication Date:: Mon May 22 00:00:00 EDT 2017

Sponsoring Org.:: USDOE

OSTI Identifier:: 1358128

Grant/Contract Number:: SC0001299; FG02-09ER46577

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Name: Physical Review B Journal Volume: 95 Journal Issue: 20; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Li, Chunhua, and Broido, David. Phonon thermal transport in transition-metal and rare-earth nitride semiconductors from first principles.  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevB.95.205203.

Copy to clipboard


                    Li, Chunhua, & Broido, David. Phonon thermal transport in transition-metal and rare-earth nitride semiconductors from first principles.  United States.  https://doi.org/10.1103/PhysRevB.95.205203

Copy to clipboard


                    Li, Chunhua, and Broido, David. Mon .  
"Phonon thermal transport in transition-metal and rare-earth nitride semiconductors from first principles".  United States.  https://doi.org/10.1103/PhysRevB.95.205203.

Copy to clipboard


                    
@article{osti_1358128,

  title        = {Phonon thermal transport in transition-metal and rare-earth nitride semiconductors from first principles},

  author       = {Li, Chunhua and Broido, David},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.95.205203},

  journal      = {Physical Review B},

  number       = 20,

  volume       = 95,

  place        = {United States},

  year         = {Mon May 22 00:00:00 EDT 2017},

  month        = {Mon May 22 00:00:00 EDT 2017}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.95.205203

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 1 work

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Optical and transport measurement and first-principles determination of the ScN band gap
journal, January 2015

Deng, Ruopeng; Ozsdolay, B. D.; Zheng, P. Y.
Physical Review B, Vol. 91, Issue 4
DOI: 10.1103/PhysRevB.91.045104

Die Kristallstruktur einiger binärer Carbide und Nitride
journal, February 1925

Becker, Karl; Ebert, Fritz
Zeitschrift für Physik, Vol. 31, Issue 1
DOI: 10.1007/BF02980580

Intrinsic lattice thermal conductivity of semiconductors from first principles
journal, December 2007

Broido, D. A.; Malorny, M.; Birner, G.
Applied Physics Letters, Vol. 91, Issue 23
DOI: 10.1063/1.2822891

ShengBTE: A solver of the Boltzmann transport equation for phonons
journal, June 2014

Li, Wu; Carrete, Jesús; A. Katcho, Nebil
Computer Physics Communications, Vol. 185, Issue 6
DOI: 10.1016/j.cpc.2014.02.015

Thermal conductivity of diamond nanowires from first principles
journal, May 2012

Li, Wu; Mingo, Natalio; Lindsay, L.
Physical Review B, Vol. 85, Issue 19
DOI: 10.1103/PhysRevB.85.195436

Projector augmented-wave method
journal, December 1994

Blöchl, P. E.
Physical Review B, Vol. 50, Issue 24, p. 17953-17979
DOI: 10.1103/PhysRevB.50.17953

Accurate projected augmented wave (PAW) datasets for rare-earth elements (RE=La–Lu)
journal, December 2014

Topsakal, M.; Wentzcovitch, R. M.
Computational Materials Science, Vol. 95
DOI: 10.1016/j.commatsci.2014.07.030

Hybrid functionals based on a screened Coulomb potential
journal, May 2003

Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
The Journal of Chemical Physics, Vol. 118, Issue 18
DOI: 10.1063/1.1564060

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Kresse, G.; Furthmüller, J.
Computational Materials Science, Vol. 6, Issue 1, p. 15-50
DOI: 10.1016/0927-0256(96)00008-0

First principles study of scandium nitride and yttrium nitride alloy system: Prospective material for optoelectronics
journal, September 2015

Ul Haq, Bakhtiar; Afaq, A.; Abdellatif, Galila
Superlattices and Microstructures, Vol. 85
DOI: 10.1016/j.spmi.2015.04.018

Phonon-isotope scattering and thermal conductivity in materials with a large isotope effect: A first-principles study
journal, October 2013

Lindsay, L.; Broido, D. A.; Reinecke, T. L.
Physical Review B, Vol. 88, Issue 14
DOI: 10.1103/PhysRevB.88.144306

Electronic structure and properties of d - and f -shell-metal compounds
journal, August 1987

Harrison, Walter A.; Straub, Galen K.
Physical Review B, Vol. 36, Issue 5
DOI: 10.1103/PhysRevB.36.2695

The first principles study on boron bismuth compound
journal, May 2007

Deligoz, Engin; Colakoglu, Kemal; Ciftci, Yasemin Oztekin
Computational Materials Science, Vol. 39, Issue 3
DOI: 10.1016/j.commatsci.2006.08.004

Phonon related properties of transition metals, their carbides, and nitrides: A first-principles study
journal, June 2007

Isaev, E. I.; Simak, S. I.; Abrikosov, I. A.
Journal of Applied Physics, Vol. 101, Issue 12
DOI: 10.1063/1.2747230

Resonant bonding leads to low lattice thermal conductivity
journal, April 2014

Lee, Sangyeop; Esfarjani, Keivan; Luo, Tengfei
Nature Communications, Vol. 5, Issue 1
DOI: 10.1038/ncomms4525

Electronic structure of ScN determined using optical spectroscopy, photoemission, and ab initio calculations
journal, March 2001

Gall, D.; Städele, M.; Järrendahl, K.
Physical Review B, Vol. 63, Issue 12
DOI: 10.1103/PhysRevB.63.125119

Ab initio molecular dynamics for open-shell transition metals
journal, November 1993

Kresse, G.; Hafner, J.
Physical Review B, Vol. 48, Issue 17
DOI: 10.1103/PhysRevB.48.13115

Growth of poly- and single-crystal ScN on MgO(001): Role of low-energy N2+ irradiation in determining texture, microstructure evolution, and mechanical properties
journal, December 1998

Gall, D.; Petrov, I.; Hellgren, N.
Journal of Applied Physics, Vol. 84, Issue 11
DOI: 10.1063/1.368913

Electronic and optical properties of BBi and AlBi: Hybrid (YS-PBE0) function
journal, February 2015

Yalcin, Battal G.; Bagci, Sadik; Ustundag, Mehmet
Computational Materials Science, Vol. 98
DOI: 10.1016/j.commatsci.2014.11.010

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
DOI: 10.1103/PhysRevB.54.11169

First principles phonon calculations in materials science
journal, November 2015

Togo, Atsushi; Tanaka, Isao
Scripta Materialia, Vol. 108
DOI: 10.1016/j.scriptamat.2015.07.021

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
DOI: 10.1103/PhysRevB.59.1758

Preparation of Lutetium Nitride by Direct Nitridation
journal, March 2004

Suehiro, Takayuki; Hirosaki, Naoto; Yamamoto, Yoshinobu
Journal of Materials Research, Vol. 19, Issue 3
DOI: 10.1557/jmr.2004.19.3.959

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
Physical Review B, Vol. 57, Issue 3, p. 1505-1509
DOI: 10.1103/PhysRevB.57.1505

First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?
journal, July 2013

Lindsay, L.; Broido, D. A.; Reinecke, T. L.
Physical Review Letters, Vol. 111, Issue 2, Article No. 025901
DOI: 10.1103/PhysRevLett.111.025901

Sublimation crystal growth of yttrium nitride
journal, October 2010

Du, Li; Edgar, J. H.; Peascoe-Meisner, Roberta A.
Journal of Crystal Growth, Vol. 312, Issue 20
DOI: 10.1016/j.jcrysgro.2010.06.011

Rare-earth mononitrides
journal, October 2013

Natali, F.; Ruck, B. J.; Plank, N. O. V.
Progress in Materials Science, Vol. 58, Issue 8
DOI: 10.1016/j.pmatsci.2013.06.002

Thermal conductivity of bulk and nanowire Mg $_{2}$ Si $_{x}$ Sn $_{1 - x}$ alloys from first principles
journal, November 2012

Li, Wu; Lindsay, L.; Broido, D. A.
Physical Review B, Vol. 86, Issue 17
DOI: 10.1103/PhysRevB.86.174307

Theoretical investigation of La monopnictides: Electronic properties and pressure-induced phase transition
journal, August 2014

Yan, X. Z.; Chen, Y. M.; Kuang, X. Y.
Journal of Applied Physics, Vol. 116, Issue 8
DOI: 10.1063/1.4893645

Thermal conductivity of (Zr,W)N/ScN metal/semiconductor multilayers and superlattices
journal, January 2009

Rawat, Vijay; Koh, Yee Kan; Cahill, David G.
Journal of Applied Physics, Vol. 105, Issue 2
DOI: 10.1063/1.3065092

Effect of point defects on the electronic density of states of ScN studied by first-principles calculations and implications for thermoelectric properties
journal, November 2012

Kerdsongpanya, Sit; Alling, Björn; Eklund, Per
Physical Review B, Vol. 86, Issue 19
DOI: 10.1103/PhysRevB.86.195140

Thermal Expansion and Grüneisen Parameters of Amorphous Silicon: A Realistic Model Calculation
journal, September 1997

Fabian, Jaroslav; Allen, Philip B.
Physical Review Letters, Vol. 79, Issue 10
DOI: 10.1103/PhysRevLett.79.1885

Thermoelectric properties of epitaxial ScN films deposited by reactive magnetron sputtering onto MgO(001) substrates
journal, April 2013

Burmistrova, Polina V.; Maassen, Jesse; Favaloro, Tela
Journal of Applied Physics, Vol. 113, Issue 15
DOI: 10.1063/1.4801886

Electronic structure of ScN
journal, September 1986

Travaglini, G.; Marabelli, F.; Monnier, R.
Physical Review B, Vol. 34, Issue 6
DOI: 10.1103/PhysRevB.34.3876

Electronic structure and physical properties of early transition metal mononitrides: Density-functional theory LDA, GGA, and screened-exchange LDA FLAPW calculations
journal, March 2001

Stampfl, C.; Mannstadt, W.; Asahi, R.
Physical Review B, Vol. 63, Issue 15
DOI: 10.1103/PhysRevB.63.155106

Lattice thermal conductivity of silicon from empirical interatomic potentials
journal, July 2005

Broido, D. A.; Ward, A.; Mingo, N.
Physical Review B, Vol. 72, Issue 1
DOI: 10.1103/PhysRevB.72.014308

Ab initio theory of the lattice thermal conductivity in diamond
journal, September 2009

Ward, A.; Broido, D. A.; Stewart, Derek A.
Physical Review B, Vol. 80, Issue 12
DOI: 10.1103/PhysRevB.80.125203

An iterative approach to the phonon Boltzmann equation in the theory of thermal conductivity
journal, July 1995

Omini, M.; Sparavigna, A.
Physica B: Condensed Matter, Vol. 212, Issue 2
DOI: 10.1016/0921-4526(95)00016-3

Thermal Conductivity and Large Isotope Effect in GaN from First Principles
journal, August 2012

Lindsay, L.; Broido, D. A.; Reinecke, T. L.
Physical Review Letters, Vol. 109, Issue 9
DOI: 10.1103/PhysRevLett.109.095901

Electronic structure, vibrational spectrum, and thermal properties of yttrium nitride: A first-principles study
journal, April 2011

Saha, Bivas; Sands, Timothy D.; Waghmare, Umesh V.
Journal of Applied Physics, Vol. 109, Issue 7
DOI: 10.1063/1.3561499

The Crystal Structure of Yttrium Nitride
journal, September 1957

Kempter, Charles P.; Krikorian, N. H.; McGuire, Joseph C.
The Journal of Physical Chemistry, Vol. 61, Issue 9
DOI: 10.1021/j150555a023

Electronic structure, phonons, and thermal properties of ScN, ZrN, and HfN: A first-principles study
journal, February 2010

Saha, Bivas; Acharya, Jagaran; Sands, Timothy D.
Journal of Applied Physics, Vol. 107, Issue 3
DOI: 10.1063/1.3291117

Nonmetallic crystals with high thermal conductivity
journal, January 1973

Slack, G. A.
Journal of Physics and Chemistry of Solids, Vol. 34, Issue 2
DOI: 10.1016/0022-3697(73)90092-9

Zur Kenntnis der Nitride der Seltenen Erdmetalle
journal, November 1956

Klemm, W.; Winkelmann, G.
Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 288, Issue 1-2
DOI: 10.1002/zaac.19562880112

Optic phonon bandwidth and lattice thermal conductivity: The case of $L i_{2} X$ ( $X = O$ , S, Se, Te)
journal, June 2016

Mukhopadhyay, S.; Lindsay, L.; Parker, D. S.
Physical Review B, Vol. 93, Issue 22
DOI: 10.1103/PhysRevB.93.224301

Beyond the isotropic-model approximation in the theory of thermal conductivity
journal, April 1996

Omini, M.; Sparavigna, A.
Physical Review B, Vol. 53, Issue 14
DOI: 10.1103/PhysRevB.53.9064

Similar Records in DOE PAGES and OSTI.GOV collections:

Phonon thermal transport in transition-metal and rare-earth nitride semiconductors from first principles

Journal Article Li, Chunhua ; Broido, David - Physical Review B

Not provided.
https://doi.org/10.1103/physrevb.95.205203
Phonon thermal transport in ${Bi}_{2} {Te}_{3}$ from first principles

Journal Article Hellman, Olle ; Broido, David A. - Physical Review. B, Condensed Matter and Materials Physics

We present first-principles calculations of the thermal and thermal transport properties of Bi 2 Te 3 that combine an ab initio molecular dynamics (AIMD) approach to calculate interatomic force constants (IFCs) along with a full iterative solution of the Peierls-Boltzmann transport equation for phonons. The newly developed AIMD approach allows determination of harmonic and anharmonic interatomic forces at each temperature, which is particularly appropriate for highly anharmonic materials such as Bi 2 Te 3 . The calculated phonon dispersions, heat capacity, and thermal expansion coefficient are found to be in good agreement with measured data. The lattice thermal conductivity, κmore »« less
https://doi.org/10.1103/PhysRevB.90.134309
Phonon thermal transport in ${Bi}_{2} {Te}_{3}$ from first principles

Journal Article Hellman, Olle ; Broido, David A. - Physical Review. B, Condensed Matter and Materials Physics
https://doi.org/10.1103/PhysRevB.90.134309
Phonon thermal transport in ${Bi}_{2} {Te}_{3}$ from first principles

Journal Article Hellman, Olle ; Broido, David A. - Physical Review B
Cited by 143
https://doi.org/10.1103/PhysRevB.90.134309
First-principles calculations of thermal, electrical, and thermoelectric transport properties of semiconductors

Journal Article Zhou, Jiawei ; Liao, Bolin ; Chen, Gang - Semiconductor Science and Technology

The transport properties of semiconductors are key to the performance of many solid-state devices (transistors, data storage, thermoelectric cooling and power generation devices, etc). An understanding of the transport details can lead to material designs with better performances. In recent years simulation tools based on first-principles calculations have been greatly improved, being able to obtain the fundamental ground-state properties of materials (such as band structure and phonon dispersion) accurately. Accordingly, methods have been developed to calculate the transport properties based on an ab initio approach. We focus on the thermal, electrical, and thermoelectric transport properties of semiconductors, which represent themore »« less
Cited by 52
https://doi.org/10.1088/0268-1242/31/4/043001

Full Text Available

Similar Records

Title: Phonon thermal transport in transition-metal and rare-earth nitride semiconductors from first principles

Citation Formats

Optical and transport measurement and first-principles determination of the ScN band gap journal, January 2015

Die Kristallstruktur einiger binärer Carbide und Nitride journal, February 1925

Intrinsic lattice thermal conductivity of semiconductors from first principles journal, December 2007

ShengBTE: A solver of the Boltzmann transport equation for phonons journal, June 2014

Thermal conductivity of diamond nanowires from first principles journal, May 2012

Projector augmented-wave method journal, December 1994

Accurate projected augmented wave (PAW) datasets for rare-earth elements (RE=La–Lu) journal, December 2014

Hybrid functionals based on a screened Coulomb potential journal, May 2003

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

First principles study of scandium nitride and yttrium nitride alloy system: Prospective material for optoelectronics journal, September 2015

Phonon-isotope scattering and thermal conductivity in materials with a large isotope effect: A first-principles study journal, October 2013

Electronic structure and properties of d - and f -shell-metal compounds journal, August 1987

The first principles study on boron bismuth compound journal, May 2007

Phonon related properties of transition metals, their carbides, and nitrides: A first-principles study journal, June 2007

Resonant bonding leads to low lattice thermal conductivity journal, April 2014

Electronic structure of ScN determined using optical spectroscopy, photoemission, and ab initio calculations journal, March 2001

Ab initio molecular dynamics for open-shell transition metals journal, November 1993

Growth of poly- and single-crystal ScN on MgO(001): Role of low-energy N2+ irradiation in determining texture, microstructure evolution, and mechanical properties journal, December 1998

Electronic and optical properties of BBi and AlBi: Hybrid (YS-PBE0) function journal, February 2015

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

First principles phonon calculations in materials science journal, November 2015

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Preparation of Lutetium Nitride by Direct Nitridation journal, March 2004

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal, January 1998

First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond? journal, July 2013

Sublimation crystal growth of yttrium nitride journal, October 2010

Rare-earth mononitrides journal, October 2013

Thermal conductivity of bulk and nanowire Mg 2 Si x Sn 1 − x alloys from first principles journal, November 2012

Theoretical investigation of La monopnictides: Electronic properties and pressure-induced phase transition journal, August 2014

Thermal conductivity of (Zr,W)N/ScN metal/semiconductor multilayers and superlattices journal, January 2009

Effect of point defects on the electronic density of states of ScN studied by first-principles calculations and implications for thermoelectric properties journal, November 2012

Thermal Expansion and Grüneisen Parameters of Amorphous Silicon: A Realistic Model Calculation journal, September 1997

Thermoelectric properties of epitaxial ScN films deposited by reactive magnetron sputtering onto MgO(001) substrates journal, April 2013

Electronic structure of ScN journal, September 1986

Electronic structure and physical properties of early transition metal mononitrides: Density-functional theory LDA, GGA, and screened-exchange LDA FLAPW calculations journal, March 2001

Lattice thermal conductivity of silicon from empirical interatomic potentials journal, July 2005

Ab initio theory of the lattice thermal conductivity in diamond journal, September 2009

An iterative approach to the phonon Boltzmann equation in the theory of thermal conductivity journal, July 1995

Thermal Conductivity and Large Isotope Effect in GaN from First Principles journal, August 2012

Electronic structure, vibrational spectrum, and thermal properties of yttrium nitride: A first-principles study journal, April 2011

The Crystal Structure of Yttrium Nitride journal, September 1957

Electronic structure, phonons, and thermal properties of ScN, ZrN, and HfN: A first-principles study journal, February 2010

Nonmetallic crystals with high thermal conductivity journal, January 1973

Zur Kenntnis der Nitride der Seltenen Erdmetalle journal, November 1956

Optic phonon bandwidth and lattice thermal conductivity: The case of L i 2 X ( X = O , S, Se, Te) journal, June 2016

Beyond the isotropic-model approximation in the theory of thermal conductivity journal, April 1996

Optical and transport measurement and first-principles determination of the ScN band gap
journal, January 2015

Die Kristallstruktur einiger binärer Carbide und Nitride
journal, February 1925

Intrinsic lattice thermal conductivity of semiconductors from first principles
journal, December 2007

ShengBTE: A solver of the Boltzmann transport equation for phonons
journal, June 2014

Thermal conductivity of diamond nanowires from first principles
journal, May 2012

Projector augmented-wave method
journal, December 1994

Accurate projected augmented wave (PAW) datasets for rare-earth elements (RE=La–Lu)
journal, December 2014

Hybrid functionals based on a screened Coulomb potential
journal, May 2003

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

First principles study of scandium nitride and yttrium nitride alloy system: Prospective material for optoelectronics
journal, September 2015

Phonon-isotope scattering and thermal conductivity in materials with a large isotope effect: A first-principles study
journal, October 2013

Electronic structure and properties of d - and f -shell-metal compounds
journal, August 1987

The first principles study on boron bismuth compound
journal, May 2007

Phonon related properties of transition metals, their carbides, and nitrides: A first-principles study
journal, June 2007

Resonant bonding leads to low lattice thermal conductivity
journal, April 2014

Electronic structure of ScN determined using optical spectroscopy, photoemission, and ab initio calculations
journal, March 2001

Ab initio molecular dynamics for open-shell transition metals
journal, November 1993

Growth of poly- and single-crystal ScN on MgO(001): Role of low-energy N2+ irradiation in determining texture, microstructure evolution, and mechanical properties
journal, December 1998

Electronic and optical properties of BBi and AlBi: Hybrid (YS-PBE0) function
journal, February 2015

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

First principles phonon calculations in materials science
journal, November 2015

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Preparation of Lutetium Nitride by Direct Nitridation
journal, March 2004

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?
journal, July 2013

Sublimation crystal growth of yttrium nitride
journal, October 2010

Rare-earth mononitrides
journal, October 2013

Thermal conductivity of bulk and nanowire Mg $_{2}$ Si $_{x}$ Sn $_{1 - x}$ alloys from first principles
journal, November 2012

Theoretical investigation of La monopnictides: Electronic properties and pressure-induced phase transition
journal, August 2014

Thermal conductivity of (Zr,W)N/ScN metal/semiconductor multilayers and superlattices
journal, January 2009

Effect of point defects on the electronic density of states of ScN studied by first-principles calculations and implications for thermoelectric properties
journal, November 2012

Thermal Expansion and Grüneisen Parameters of Amorphous Silicon: A Realistic Model Calculation
journal, September 1997

Thermoelectric properties of epitaxial ScN films deposited by reactive magnetron sputtering onto MgO(001) substrates
journal, April 2013

Electronic structure of ScN
journal, September 1986

Electronic structure and physical properties of early transition metal mononitrides: Density-functional theory LDA, GGA, and screened-exchange LDA FLAPW calculations
journal, March 2001

Lattice thermal conductivity of silicon from empirical interatomic potentials
journal, July 2005

Ab initio theory of the lattice thermal conductivity in diamond
journal, September 2009

An iterative approach to the phonon Boltzmann equation in the theory of thermal conductivity
journal, July 1995

Thermal Conductivity and Large Isotope Effect in GaN from First Principles
journal, August 2012

Electronic structure, vibrational spectrum, and thermal properties of yttrium nitride: A first-principles study
journal, April 2011

The Crystal Structure of Yttrium Nitride
journal, September 1957

Electronic structure, phonons, and thermal properties of ScN, ZrN, and HfN: A first-principles study
journal, February 2010

Nonmetallic crystals with high thermal conductivity
journal, January 1973

Zur Kenntnis der Nitride der Seltenen Erdmetalle
journal, November 1956

Optic phonon bandwidth and lattice thermal conductivity: The case of $L i_{2} X$ ( $X = O$ , S, Se, Te)
journal, June 2016

Beyond the isotropic-model approximation in the theory of thermal conductivity
journal, April 1996