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1

Temperature dependence of the Kohn anomaly in bcc Nb from first-principles self-consistent phonon calculations

Tidholm, Johan, Hellman, Olle, Shulumba, Nina, Simak, Sergei I., TasnÃ¡di, Ferenc, Abrikosov, Igor A.

Journal:

Physical Review B

Year:

2020

Language:

english

File:

PDF, 1.26 MB

english, 2020

2

Temperature dependence of TiN elastic constants from ab initio molecular dynamics simulations

Steneteg, Peter, Hellman, Olle, Vekilova, Olga Yu., Shulumba, Nina, Tasnádi, Ferenc, Abrikosov, Igor A.

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 1.04 MB

english, 2013

3

Vibrational free energy and phase stability of paramagnetic and antiferromagnetic CrN from ab initio molecular dynamics

Shulumba, Nina, Alling, Björn, Hellman, Olle, Mozafari, Elham, Steneteg, Peter, Odén, Magnus, Abrikosov, Igor A.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 492 KB

english, 2014

4

at the Earth's core conditions

Raza, Zamaan, Shulumba, Nina, Caffrey, Nuala M., Dubrovinsky, Leonid, Abrikosov, Igor A.

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 1.35 MB

english, 2015

5

Finite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations

Mozafari, E., Shulumba, N., Steneteg, P., Alling, B., Abrikosov, Igor A.

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 536 KB

english, 2016

6

Impact of anharmonic effects on the phase stability, thermal transport, and electronic properties of AlN

Shulumba, Nina, Raza, Zamaan, Hellman, Olle, Janzén, Erik, Abrikosov, Igor A., Odén, Magnus

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 1.03 MB

english, 2016

7

Lattice Vibrations Change the Solid Solubility of an Alloy at High Temperatures

Shulumba, Nina, Hellman, Olle, Raza, Zamaan, Alling, Björn, Barrirero, Jenifer, Mücklich, Frank, Abrikosov, Igor A., Odén, Magnus

Journal:

Physical Review Letters

Year:

2016

Language:

english

File:

PDF, 449 KB

english, 2016

8

Intrinsic localized mode and low thermal conductivity of PbSe

Shulumba, Nina, Hellman, Olle, Minnich, Austin J.

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 976 KB

english, 2017

9

Temperature-dependent elastic properties of Ti 1−x Al x N alloys

Shulumba, Nina, Hellman, Olle, Rogström, Lina, Raza, Zamaan, Tasnádi, Ferenc, Abrikosov, Igor A., Odén, Magnus

Journal:

Applied Physics Letters

Year:

2015

Language:

english

File:

PDF, 563 KB

english, 2015

10

Lattice Thermal Conductivity of Polyethylene Molecular Crystals from First-Principles Including Nuclear Quantum Effects

Shulumba, Nina, Hellman, Olle, Minnich, Austin J.

Journal:

Physical Review Letters

Year:

2017

Language:

english

File:

PDF, 637 KB

english, 2017

11

Nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon

Kim, D. S., Hellman, O., Herriman, J., Smith, H. L., Lin, J. Y. Y., Shulumba, N., Niedziela, J. L., Li, C. W., Abernathy, D. L., Fultz, B.

Journal:

Proceedings of the National Academy of Sciences

Year:

2018

Language:

english

File:

PDF, 5.76 MB

english, 2018

12

Intrinsic anharmonic localization in thermoelectric PbSe

Manley, M. E., Hellman, O., Shulumba, N., May, A. F., Stonaha, P. J., Lynn, J. W., Garlea, V. O., Alatas, A., Hermann, R. P., Budai, J. D., Wang, H., Sales, B. C., Minnich, A. J.

Journal:

Nature Communications

Year:

2019

Language:

english

File:

PDF, 1.46 MB

english, 2019

13

Thermal transport and phonon focusing in complex molecular crystals: Ab initio study of polythiophene

Cheng, Peishi, Shulumba, Nina, Minnich, Austin J.

Journal:

Physical Review B

Year:

2019

Language:

english

File:

PDF, 1.07 MB

english, 2019

14

Thermoelectric transport trends in group 4 half-Heusler alloys

Berland, Kristian, Shulumba, Nina, Hellman, Olle, Persson, Clas, Løvvik, Ole Martin

Journal:

Journal of Applied Physics

Year:

2019

Language:

english

File:

PDF, 4.00 MB

english, 2019

15

High frequency atomic tunneling yields ultralow and glass-like thermal conductivity in chalcogenide single crystals

Sun, Bo, Niu, Shanyuan, Hermann, Raphael P., Moon, Jaeyun, Shulumba, Nina, Page, Katharine, Zhao, Boyang, Thind, Arashdeep S., Mahalingam, Krishnamurthy, Milam-Guerrero, JoAnna, Haiges, Ralf, Mecklenb

Journal:

Nature Communications

Year:

2020

File:

PDF, 1.95 MB

2020

16

Temperature-dependent phonon lifetimes and thermal conductivity of silicon by inelastic neutron scattering and ab initio calculations

Kim, D. S., Hellman, O., Shulumba, N., Saunders, C. N., Lin, J. Y. Y., Smith, H. L., Herriman, J. E., Niedziela, J. L., Abernathy, D. L., Li, C. W., Fultz, B.

Journal:

Physical Review B

Year:

2020

File:

PDF, 2.05 MB

2020