To advance knowledge on the psychophysiological markers of “coordination cost” in team settings, we explored differences in meta-communication patterns (i.e., silence, speaking, listening, and overlap), perceived psychological states (i.e., core affect, attention, efficacy beliefs), heart rate variability (i.e., RMSSD), and brain rhythms (i.e., alpha, beta and theta absolute power) across three studies involving 48 male dyads (Mage = 21.30; SD = 2.03). Skilled participants cooperatively played three consecutive FIFA-17 (Xbox) games in a dyad against the computer, or competed against the computer in a solo condition and a dyad condition. We observed that playing in a team, in contrast to playing alone, was associated with higher alpha peak and global efficiency in the brain and, at the same time, led to an increase in focused attention as evidenced by participants’ higher theta activity in the frontal lobe. Moreover, we observed that overtime participants’ brain dynamics moved towards a state of “neural-efficiency”, characterized by increased theta and beta activity in the frontal lobe, and high alpha activity across the whole brain. Our findings advance the literature by demonstrating that (1) the notion of coordination cost can be captured at the neural level in the initial stages of team development; (2) by decreasing the costs of switching between tasks, teamwork increases both individuals’ attentional focus and global neural efficiency; and (3) communication dynamics become more proficient and individuals’ brain patterns change towards neural efficiency over time, likely due to team learning and decreases in intra-team conflict.