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Xu Bin

Département de physique > Physique des matériaux et nanostructures

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Main Referenced Co-authors
Verstraete, Matthieu  (19)
Dong, Jianjun (12)
Bellaiche, Laurent (5)
Dupé, Bertrand  (5)
Ghosez, Philippe  (5)
Main Referenced Keywords
BFO (4); Heff (3); multiferroics (3); DFT (2); LIMARC (2);
Main Referenced Unit & Research Centers
CESAM - Complex and Entangled Systems from Atoms to Materials - ULiège [BE] (2)
CESAM, QMAT (1)
Main Referenced Disciplines
Physics (39)
Electrical & electronics engineering (1)
Materials science & engineering (1)
Chemistry (1)

Publications (total 42)

The most downloaded
483 downloads
Miranda, A. L., Xu, B., Hellman, O., Romero, A. H., & Verstraete, M. (2014). Ab initio calculation of the thermal conductivity of indium antimonide. Semiconductor Science and Technology, 29 (12), 124002. doi:10.1088/0268-1242/29/12/124002 https://hdl.handle.net/2268/175352

The most cited

621 citations (Scopus®)

Gonze, X., Jollet, F., Araujo, F. A., Adams, D., Amadon, B., Applencourt, T., Audouze, C., Beuken, J.-M., Bieder, J., Bokhanchuk, A., Bousquet, E., Bruneval, F., Caliste, D., Côté, M., Dahm, F., Pieve, F. D., Delaveau, M., Gennaro, M. D., Dorado, B., ... Zwanziger, J. W. (2016). Recent developments in the ABINIT software package. Computer Physics Communications, 205, 106-131. doi:10.1016/j.cpc.2016.04.003 https://hdl.handle.net/2268/198691

Ma, X., Di Gennaro, M., Giantomassi, M., Verstraete, M., & Xu, B. (April 2023). Ab initio calculation of thermoelectric properties in 3d ferromagnets based on spin-dependent electron-phonon coupling. New Journal of Physics, 25 (4), 043022. doi:10.1088/1367-2630/accca1
Peer Reviewed verified by ORBi

Xu, B., Meyer, S., Verstraete, M., Bellaiche, L., & Dupé, B. (2021). First-principles study of spin spirals in the multiferroic $BiFeO_3$. Physical Review, 103, 214423. doi:10.1103/PhysRevB.103.214423
Peer reviewed

Xu, B., Di Gennaro, M., & Verstraete, M. (2020). Thermoelectric properties of elemental metals from first-principles electron-phonon coupling. Physical Review. B, 102 (15), 155128. doi:10.1103/PhysRevB.102.155128
Peer Reviewed verified by ORBi

Xu, C., Xu, B., Dupé, B., & Bellaiche, L. (2019). Magnetic interactions in BiFeO3 : A first-principles study. Physical Review. B, 99 (10), 104420. doi:10.1103/PhysRevB.99.104420
Peer Reviewed verified by ORBi

Sando, D., Appert, F., Xu, B., Paull, O., Burns, S. R., Carrétéro, C., Dupé, B., Garcia, V., Gallais, Y., Sacuto, A., Cazayous, M., Dkhil, B., Le Breton, J. M., Barthélémy, A., Bibes, M., Bellaiche, L., Nagarajan, V., & Juraszek, J. (2019). A magnetic phase diagram for nanoscale epitaxial BiFeO 3 films. Applied Physics Reviews, 6 (4), 041404. doi:10.1063/1.5113530
Peer Reviewed verified by ORBi

Burns, S. R., Sando, D., Xu, B., Dupé, B., Russell, L., Deng, G., Clements, R., Paull, O. H. C., Seidel, J., Bellaiche, L., Valanoor, N., & Ulrich, C. (2019). Expansion of the spin cycloid in multiferroic BiFeO3 thin films. npj Quantum Materials, 4 (1), 18. doi:10.1038/s41535-019-0155-2
Peer Reviewed verified by ORBi

Xu, B., Dupé, B., Xu, C., Xiang, H., & Bellaiche, L. (2018). Revisiting spin cycloids in multiferroic BiFeO\$\_3\$. Physical Review. B, 98 (18), 184420. doi:10.1103/PhysRevB.98.184420
Peer Reviewed verified by ORBi

Tao, Q., Loret, B., Xu, B., Yang, X., Rischau, W., Lin, X., Fauqué, B. I., Verstraete, M., & Behnia, K. (2016). Non-monotonous anisotropy in charge conduction induced by antiferrodistortive transition in metallic SrTiO3. Physical Review. B, 94, 035111. doi:10.1103/PhysRevB.94.035111
Peer Reviewed verified by ORBi

Ormaza, M., Fernandez, L., Ilyn, M., Magana, A., Xu, B., Verstraete, M., Gastaldo, M., Valbuena, M. A., Gargiani, P., Mugarza, A., Ayuela, A., Vitali, L., Blanco-Rey, M., Schiller, F., & Ortega, J. E. (2016). High Temperature Ferromagnetism in a GdAg2 Monolayer. Nano Letters, 0 (0). doi:10.1021/acs.nanolett.6b01197
Peer Reviewed verified by ORBi

Correa, A., Xu, B., Verstraete, M., & Vitali, L. (2016). Strain-induced effects in the electronic and spin properties of a monolayer of ferromagnetic GdAg2. Nanoscale, 8, 19148-19153. doi:10.1039/C6NR06398E
Peer Reviewed verified by ORBi

Miao, N., Xu, B., Bristowe, N., Bilc, D., Verstraete, M., & Ghosez, P. (2016). First-Principles Study of the Thermoelectric Properties of SrRuO3. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 120, 9112. doi:10.1021/acs.jpcc.6b02514
Peer Reviewed verified by ORBi

Gonze, X., Jollet, F., Araujo, F. A., Adams, D., Amadon, B., Applencourt, T., Audouze, C., Beuken, J.-M., Bieder, J., Bokhanchuk, A., Bousquet, E., Bruneval, F., Caliste, D., Côté, M., Dahm, F., Pieve, F. D., Delaveau, M., Gennaro, M. D., Dorado, B., ... Zwanziger, J. W. (2016). Recent developments in the ABINIT software package. Computer Physics Communications, 205, 106-131. doi:10.1016/j.cpc.2016.04.003
Peer Reviewed verified by ORBi

Xu, B., & Verstraete, M. (2014). First Principles Explanation of the Positive Seebeck Coefficient of Lithium. Physical Review Letters, 112, 196603. doi:10.1103/PhysRevLett.112.196603
Peer Reviewed verified by ORBi

Miranda, A. L., Xu, B., Hellman, O., Romero, A. H., & Verstraete, M. (2014). Ab initio calculation of the thermal conductivity of indium antimonide. Semiconductor Science and Technology, 29 (12), 124002. doi:10.1088/0268-1242/29/12/124002
Peer Reviewed verified by ORBi

Miao, N., Bristowe, N., Xu, B., Verstraete, M., & Ghosez, P. (2014). First-principles study of the lattice dynamical properties of strontium ruthenate. Journal of Physics: Condensed Matter, 26, 035401. doi:10.1088/0953-8984/26/3/035401
Peer Reviewed verified by ORBi

Ormaza, M., Fernandez, L., Lafuente, S., Corso, M., Schiller, F., Xu, B., Diakhate, M., Verstraete, M., & Ortega, J. E. (2013). LaAu2 and CeAu2 surface intermetallic compounds grown by high-temperature deposition on Au(111). Physical Review. B, Condensed Matter and Materials Physics, 88, 125405. doi:10.1103/PhysRevB.88.125405
Peer Reviewed verified by ORBi

Xu, B., & Verstraete, M. (2013). First-principles study of transport properties in Os and OsSi. Physical Review. B, Condensed Matter, 87, 134302. doi:10.1103/PhysRevB.87.134302
Peer Reviewed verified by ORBi

Xu, B., Diakhate, M., Fillippetti, A., & Verstraete, M. (November 2012). Ab initio thermoelectric properties [Paper presentation]. Vibrational Coupling: most important, often ignored, and a challenge for ab-initio, Lausanne, Switzerland.

Xu, B., & Verstraete, M. (July 2012). Calculation of Thermoelectric Properties from First-Principles [Poster presentation]. The 31st International & 10th European Conference on Thermoelectrics, Aalborg, Denmark.

Xu, B., Ghosez, P., & Verstraete, M. (May 2012). First-Principles Seebeck Calculation: Implementing a general formula for the calculation of the Seebeck coefficient from first-principles [Paper presentation]. Fourth International Oxide Workshop, Santander, Spain.

Xu, B., Diakhate, M., Verstraete, M., & Ghosez, P. (October 2011). First-principles study of thermoelectric properties in SrTiO3 and FeSb2 [Poster presentation]. Workshop on New Materials for Renewable Energy, Trieste, Italy.

Xu, B., Verstraete, M., & Ghosez, P. (May 2011). First-Principles Study of Electron-Phonon Coupling in STO and 2DEG [Paper presentation]. Third International Oxide Workshop, Olbia, Italy.

Xu, B., & Verstraete, M. (April 2011). Study of Thermoelectric Properties of n-type Doped STO from Linear Response Theory [Poster presentation]. 5th International ABINIT Developer Workshop, Han-sur-Lesse, Belgium.

Xu, B., Dong, J., McMillan, P. F., Shebanova, O., & Salamat, A. (2011). Equilibrium and metastable phase transitions in silicon nitride at high pressure: A first-principles and experimental study. Physical Review. B, Condensed Matter and Materials Physics, 84 (1). doi:10.1103/PhysRevB.84.014113
Peer Reviewed verified by ORBi

Xu, B., & Kroll, P. (August 2010). Oxidation Mechanism in SiCO: First-Principles Study of O2 Diffusion and Reaction [Paper presentation]. Fifth International Meeting on Polymer Derived Ceramics and Related Materials, Boulder, United States.

Xu, B., & Kroll, P. (August 2010). First-Principles Study of Oxidation Mechanism for SiC-based Materials [Poster presentation]. AFOSR/NASA NRA Combined Annual Review, Cleveland, United States.

Xu, B., Stokes, H., & Dong, J. (2010). First-principles calculation of kinetic barriers and metastability for the corundum-to-Rh/sub 2/O/sub 3/(II) transition in Al/sub 2/O/sub 3/. Journal of Physics: Condensed Matter, 22 (31), 315403 (6 pp.)-315403 (6. doi:10.1088/0953-8984/22/31/315403
Peer Reviewed verified by ORBi

Xu, B., & Dong, J. (September 2009). Theoretical Study on the Thermodynamic Properties of Al2O3 and Si3N4 at High Pressure [Paper presentation]. 13th International IUPAC Conference on High Temperature Materials Chemistry (HTMC- 13), UC Davis, United States.

Xu, B., Dong, J., Stokes, H., & Hatch, D. (June 2009). First-Principles Study of the Mechanism for B4-to-B1 Phase Transformation in AlN [Poster presentation]. COMPRES Annual Meeting, Bretton Woods, United States.

Xu, B., Dong, J., Stokes, H., & Hatch, D. (June 2009). Theoretical Study of Transformation Mechanism for the Corundum-to-Rh2O3(II) Transition in Al2O3 [Poster presentation]. COMPRES Annual Meeting, Bretton Woods, United States.

Xu, B., Dong, J., Stokes, H., & Hatch, D. (June 2009). Theoretical Study of Transformation Mechanism for the Corundum-to-Rh2O3(II) Transition in Al2O3 [Paper presentation]. COMPRES Annual Meeting, Bretton Woods, United States.

Xu, B., Dong, J., Shebanova, O., Daisenberger, D., & McMillan, P. (June 2009). First-Principles Study of Phase Transitions in Silicon Nitride at High Pressure [Poster presentation]. COMPRES Annual Meeting, Bretton Woods, United States.

Xu, B., & Dong, J. (June 2007). First-Principles Study of High-Pressure Phase Transitions and Thermal Properties of Al2O3 [Poster presentation]. COMPRES Annual Meeting, Lake Morey, United States.

Xu, B., & Dong, J. (March 2007). First-Principles Calculations of Thermodynamic Properties and Pressure- Induced Phase Transitions in Ga2O3 and Al2O3 [Paper presentation]. APS Annual Meeting, Denver, United States.

Xu, B., & Dong, J. (February 2007). First-Principles Study of Thermal and Elastic Properties of Al2O3 [Poster presentation]. Alabama EPSCoR Annual Meeting, Huntsville, United States.

Xu, B., & Dong, J. (March 2006). First-Principles Study of High-Pressure Phase Transitions in Si3N4 [Paper presentation]. APS Annual Meeting, Baltimore, United States.

Machon, D., McMillan, P. F., Xu, B., & Dong, J. (2006). High-pressure study of the beta-to-alpha transition in Ga2O3. Physical Review. B, Condensed Matter and Materials Physics, 73 (9). doi:10.1103/PhysRevB.73.094125
Peer Reviewed verified by ORBi

Xu, B., & Dong, J. (October 2005). First-Principles Study of Lattice Vibration in Ga2O3 nanowires [Poster presentation]. Alabama Center for Nanostructure Material (ACNM), EPSCoR Meeting, Tuskegee, United States.

Xu, B., & Dong, J. (June 2005). First-Principles Study of High-Pressure Phase Transitions in Si3N4 [Poster presentation]. COMPRES Annual Meeting, New Paltz, United States.

Sun, D.-M., Dong, W., Guo, W., Liu, C.-X., Wang, G. D., Yan, X., Xu, B., Chen, W.-Y. Y., & Kraft, M. (2005). Study on actuating voltage and switching time of a MOEMS optical switch. Optics and Laser Technology, 37 (8), 601-607. doi:10.1016/j.optlastec.2004.09.005

RAO, R. F., Rao, A. M., Xu, B., Dong, J., Sharma, S., & Sunkara, M. K. (2005). Blueshifted Raman scattering and its correlation with the [110] growth direction in gallium oxide nanowires. Journal of Applied Physics, 98 (9). doi:10.1063/1.2128044
Peer Reviewed verified by ORBi

Soignard, E., Machon, D., McMillan, P. F., Dong, J. J., Xu, B., & Leinenweber, K. (2005). Spinel-structured gallium oxynitride (Ga3O3N) synthesis and characterization: An experimental and theoretical study. Chemistry of Materials, 17 (22), 5465-5472. doi:10.1021/cm051224p
Peer Reviewed verified by ORBi

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